20-(carboxymethyl)-12-ethenyl-7-ethyl-3,8,13,17-tetramethyl-18-propyl-22,23-dihydroporphyrin-2-carboxylic acid

Systemtic Name: 20-(carboxymethyl)-12-ethenyl-7-ethyl-3,8,13,17-tetramethyl-18-propyl-22,23-dihydroporphyrin-2-carboxylic acid Openeye Name: 20-(carboxymethyl)-7-ethyl-3,8,13,17-tetramethyl-18-propyl-12-vinyl-22,23-dihydroporphyrin-2-carboxylic acid CAS Name: 20-(carboxymethyl)-12-ethenyl-7-ethyl-3,8,13,17-tetramethyl-18-propyl-22,23-dihydroporphyrin-2-carboxylic acid IUPAC Name: 20-(carboxymethyl)-12-ethenyl-7-ethyl-3,8,13,17-tetramethyl-18-propyl-22,23-dihydroporphyrin-2-carboxylic acid Traditional Name: 20-(carboxymethyl)-7-ethyl-3,8,13,17-tetramethyl-18-propyl-12-vinyl-22,23-dihydroporphine-2-carboxylic acid Formula: C34H36N4O4 MolecularWeight: 564.67404

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=NC1=C(C3=NC(=CC4=C(C(=C(N4)C=C5C(=C(C(=C2)N5)C)C=C)C)CC)C(=C3C(=O)O)C)CC(=O)O)C

Isomeric SMILES

CCCC1=C(C2=NC1=C(C3=NC(=CC4=C(C(=C(N4)C=C5C(=C(C(=C2)N5)C)C=C)C)CC)C(=C3C(=O)O)C)CC(=O)O)C

InChI

InChI=1S/C34H36N4O4/c1-8-11-22-18(6)26-13-24-16(4)20(9-2)28(35-24)14-25-17(5)21(10-3)29(36-25)15-27-19(7)31(34(41)42)33(38-27)23(12-30(39)40)32(22)37-26/h9,13-15,35-36H,2,8,10-12H2,1,3-7H3,(H,39,40)(H,41,42)