propan-2-yl 2-cyano-2-[(2R,3R)-3-(1-cyano-2-oxidanylidene-2-propan-2-yloxy-ethyl)-5,10,15,20-tetraphenyl-2,3,22,24-tetrahydroporphyrin-2-yl]ethanoate

Systemtic Name: propan-2-yl 2-cyano-2-[(2R,3R)-3-(1-cyano-2-oxidanylidene-2-propan-2-yloxy-ethyl)-5,10,15,20-tetraphenyl-2,3,22,24-tetrahydroporphyrin-2-yl]ethanoate Openeye Name: isopropyl 2-cyano-2-[(2R,3R)-3-(1-cyano-2-isopropoxy-2-oxo-ethyl)-5,10,15,20-tetraphenyl-2,3,22,24-tetrahydroporphyrin-2-yl]acetate CAS Name: 2-cyano-2-[(2R,3R)-3-(1-cyano-2-oxo-2-propan-2-yloxyethyl)-5,10,15,20-tetraphenyl-2,3,22,24-tetrahydroporphyrin-2-yl]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-cyano-2-[(2R,3R)-3-(1-cyano-2-oxo-2-propan-2-yloxyethyl)-5,10,15,20-tetraphenyl-2,3,22,24-tetrahydroporphyrin-2-yl]acetate Traditional Name: 2-cyano-2-[(2R,3R)-3-(1-cyano-2-isopropoxy-2-keto-ethyl)-5,10,15,20-tetraphenyl-2,3,22,24-tetrahydroporphin-2-yl]acetic acid isopropyl ester Formula: C56H46N6O4 MolecularWeight: 867.00224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(C#N)C1C(C2=NC1=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=C2C6=CC=CC=C6)N5)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)C(C#N)C(=O)OC(C)C

Isomeric SMILES

CC(C)OC(=O)C(C#N)[C@H]1[C@@H](C2=NC1=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=C2C6=CC=CC=C6)N5)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)C(C#N)C(=O)OC(C)C

InChI

InChI=1S/C56H46N6O4/c1-33(2)65-55(63)39(31-57)51-52(40(32-58)56(64)66-34(3)4)54-50(38-23-15-8-16-24-38)46-30-28-44(61-46)48(36-19-11-6-12-20-36)42-26-25-41(59-42)47(35-17-9-5-10-18-35)43-27-29-45(60-43)49(53(51)62-54)37-21-13-7-14-22-37/h5-30,33-34,39-40,51-52,60-61H,1-4H3/t39?,40?,51-,52-/m0/s1