3-[18-(2-carboxyethyl)-7,8-bis(ethenyl)-12,13-diethyl-3,17-dimethyl-22,23-dihydroporphyrin-2-yl]propanoic acid

Systemtic Name: 3-[18-(2-carboxyethyl)-7,8-bis(ethenyl)-12,13-diethyl-3,17-dimethyl-22,23-dihydroporphyrin-2-yl]propanoic acid Openeye Name: 3-[18-(2-carboxyethyl)-12,13-diethyl-3,17-dimethyl-7,8-divinyl-22,23-dihydroporphyrin-2-yl]propanoic acid CAS Name: 3-[18-(2-carboxyethyl)-7,8-bis(ethenyl)-12,13-diethyl-3,17-dimethyl-22,23-dihydroporphyrin-2-yl]propanoic acid IUPAC Name: 3-[18-(2-carboxyethyl)-7,8-bis(ethenyl)-12,13-diethyl-3,17-dimethyl-22,23-dihydroporphyrin-2-yl]propanoic acid Traditional Name: 3-[18-(2-carboxyethyl)-12,13-diethyl-3,17-dimethyl-7,8-divinyl-22,23-dihydroporphin-2-yl]propionic acid Formula: C36H38N4O4 MolecularWeight: 590.71132

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=C3C(=C(C(=CC4=NC(=CC5=NC(=CC(=C1CC)N2)C(=C5CCC(=O)O)C)C(=C4C)CCC(=O)O)N3)C=C)C=C

Isomeric SMILES

CCC1=C2C=C3C(=C(C(=CC4=NC(=CC5=NC(=CC(=C1CC)N2)C(=C5CCC(=O)O)C)C(=C4C)CCC(=O)O)N3)C=C)C=C

InChI

InChI=1S/C36H38N4O4/c1-7-21-23(9-3)31-17-32-24(10-4)22(8-2)30(40-32)16-28-20(6)26(12-14-36(43)44)34(38-28)18-33-25(11-13-35(41)42)19(5)27(37-33)15-29(21)39-31/h7,9,15-18,39-40H,1,3,8,10-14H2,2,4-6H3,(H,41,42)(H,43,44)