methyl 3,7,12,18-tetraethyl-2,8,13,17-tetramethyl-15-phenyl-23,24-dihydroporphyrin-5-carboxylate

Systemtic Name: methyl 3,7,12,18-tetraethyl-2,8,13,17-tetramethyl-15-phenyl-23,24-dihydroporphyrin-5-carboxylate Openeye Name: methyl 3,7,12,18-tetraethyl-2,8,13,17-tetramethyl-15-phenyl-23,24-dihydroporphyrin-5-carboxylate CAS Name: 3,7,12,18-tetraethyl-2,8,13,17-tetramethyl-15-phenyl-23,24-dihydroporphyrin-5-carboxylic acid methyl ester IUPAC Name: methyl 3,7,12,18-tetraethyl-2,8,13,17-tetramethyl-15-phenyl-23,24-dihydroporphyrin-5-carboxylate Traditional Name: 3,7,12,18-tetraethyl-2,8,13,17-tetramethyl-15-phenyl-23,24-dihydroporphine-5-carboxylic acid methyl ester Formula: C40H44N4O2 MolecularWeight: 612.80296

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC3=C(C(=C(N3)C(=C4C(=C(C(=CC5=NC(=C(C1=N2)C(=O)OC)C(=C5C)CC)N4)CC)C)C6=CC=CC=C6)C)CC)C

Isomeric SMILES

CCC1=C(C2=CC3=C(C(=C(N3)C(=C4C(=C(C(=CC5=NC(=C(C1=N2)C(=O)OC)C(=C5C)CC)N4)CC)C)C6=CC=CC=C6)C)CC)C

InChI

InChI=1S/C40H44N4O2/c1-10-26-23(7)36-34(25-17-15-14-16-18-25)37-24(8)27(11-2)33(44-37)20-31-22(6)29(13-4)39(42-31)35(40(45)46-9)38-28(12-3)21(5)30(41-38)19-32(26)43-36/h14-20,43-44H,10-13H2,1-9H3