3-[(1Z,10Z,14Z)-18-(2-carboxyethyl)-7-ethenyl-12-ethyl-3,8,13,17-tetramethyl-4,5,21,22,23,24-hexahydroporphyrin-2-yl]propanoic acid

Systemtic Name: 3-[(1Z,10Z,14Z)-18-(2-carboxyethyl)-7-ethenyl-12-ethyl-3,8,13,17-tetramethyl-4,5,21,22,23,24-hexahydroporphyrin-2-yl]propanoic acid Openeye Name: 3-[(1Z,10Z,14Z)-18-(2-carboxyethyl)-12-ethyl-3,8,13,17-tetramethyl-7-vinyl-4,5,21,22,23,24-hexahydroporphyrin-2-yl]propanoic acid CAS Name: 3-[(1Z,10Z,14Z)-18-(2-carboxyethyl)-7-ethenyl-12-ethyl-3,8,13,17-tetramethyl-4,5,21,22,23,24-hexahydroporphyrin-2-yl]propanoic acid IUPAC Name: 3-[(1Z,10Z,14Z)-18-(2-carboxyethyl)-7-ethenyl-12-ethyl-3,8,13,17-tetramethyl-4,5,21,22,23,24-hexahydroporphyrin-2-yl]propanoic acid Traditional Name: 3-[(1Z,10Z,14Z)-18-(2-carboxyethyl)-12-ethyl-3,8,13,17-tetramethyl-7-vinyl-4,5,21,22,23,24-hexahydroporphin-2-yl]propionic acid Formula: C34H40N4O4 MolecularWeight: 568.7058

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(N4)CC5=C(C(=C(N5)C=C1N2)C)C=C)C)CCC(=O)O)CCC(=O)O)C)C

Isomeric SMILES

CCC\1=C(/C/2=C/C3=C(C(=C(N3)/C=C\4/C(=C(C(N4)CC5=C(C(=C(N5)/C=C1\N2)C)C=C)C)CCC(=O)O)CCC(=O)O)C)C

InChI

InChI=1S/C34H40N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h8,13-14,16,28,35-38H,2,7,9-12,15H2,1,3-6H3,(H,39,40)(H,41,42)/b25-13-,29-14-,32-16-