methyl 3-[(1Z,10Z)-7,8-diethyl-13-(3-methoxy-3-oxidanylidene-propyl)-3,12-dimethyl-5,15,22,24-tetrahydroporphyrin-2-yl]propanoate

Systemtic Name: methyl 3-[(1Z,10Z)-7,8-diethyl-13-(3-methoxy-3-oxidanylidene-propyl)-3,12-dimethyl-5,15,22,24-tetrahydroporphyrin-2-yl]propanoate Openeye Name: methyl 3-[(1Z,10Z)-7,8-diethyl-13-(3-methoxy-3-oxo-propyl)-3,12-dimethyl-5,15,22,24-tetrahydroporphyrin-2-yl]propanoate CAS Name: 3-[(1Z,10Z)-7,8-diethyl-13-(3-methoxy-3-oxopropyl)-3,12-dimethyl-5,15,22,24-tetrahydroporphyrin-2-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[(1Z,10Z)-7,8-diethyl-13-(3-methoxy-3-oxopropyl)-3,12-dimethyl-5,15,22,24-tetrahydroporphyrin-2-yl]propanoate Traditional Name: 3-[(1Z,10Z)-7,8-diethyl-13-(3-keto-3-methoxy-propyl)-3,12-dimethyl-5,15,22,24-tetrahydroporphin-2-yl]propionic acid methyl ester Formula: C34H40N4O4 MolecularWeight: 568.7058

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CC3=NC(=CC4=CC=C(N4)CC5=NC(=CC(=C1CC)N2)C(=C5CCC(=O)OC)C)C(=C3C)CCC(=O)OC

Isomeric SMILES

CCC1=C2CC3=N/C(=C\C4=CC=C(N4)CC5=N/C(=C\C(=C1CC)N2)/C(=C5CCC(=O)OC)C)/C(=C3C)CCC(=O)OC

InChI

InChI=1S/C34H40N4O4/c1-7-23-24(8-2)32-18-28-20(4)26(12-14-34(40)42-6)30(37-28)16-22-10-9-21(35-22)15-29-25(11-13-33(39)41-5)19(3)27(36-29)17-31(23)38-32/h9-10,15,18,35,38H,7-8,11-14,16-17H2,1-6H3/b28-18-,29-15-