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

Systemtic Name: 3-[18-(2-carboxyethyl)-7,8,12,13-tetrakis(ethenyl)-3,17-dimethyl-22,23-dihydroporphyrin-2-yl]propanoic acid Openeye Name: 3-[18-(2-carboxyethyl)-3,17-dimethyl-7,8,12,13-tetravinyl-22,23-dihydroporphyrin-2-yl]propanoic acid CAS Name: 3-[18-(2-carboxyethyl)-7,8,12,13-tetrakis(ethenyl)-3,17-dimethyl-22,23-dihydroporphyrin-2-yl]propanoic acid IUPAC Name: 3-[18-(2-carboxyethyl)-7,8,12,13-tetrakis(ethenyl)-3,17-dimethyl-22,23-dihydroporphyrin-2-yl]propanoic acid Traditional Name: 3-[18-(2-carboxyethyl)-3,17-dimethyl-7,8,12,13-tetravinyl-22,23-dihydroporphin-2-yl]propionic acid Formula: C36H34N4O4 MolecularWeight: 586.67956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC1=CC3=C(C(=C(N3)C=C4C(=C(C(=CC5=NC(=C2)C(=C5C)CCC(=O)O)N4)C=C)C=C)C=C)C=C)CCC(=O)O

Isomeric SMILES

CC1=C(C2=NC1=CC3=C(C(=C(N3)C=C4C(=C(C(=CC5=NC(=C2)C(=C5C)CCC(=O)O)N4)C=C)C=C)C=C)C=C)CCC(=O)O

InChI

InChI=1S/C36H34N4O4/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/h7-10,15-18,39-40H,1-4,11-14H2,5-6H3,(H,41,42)(H,43,44)