4-(8,13-diethyl-18-methoxycarbonyl-3,7,12,17-tetramethyl-23,24-dihydroporphyrin-2-yl)butanoic acid

Systemtic Name: 4-(8,13-diethyl-18-methoxycarbonyl-3,7,12,17-tetramethyl-23,24-dihydroporphyrin-2-yl)butanoic acid Openeye Name: 4-(8,13-diethyl-18-methoxycarbonyl-3,7,12,17-tetramethyl-23,24-dihydroporphyrin-2-yl)butanoic acid CAS Name: 4-(8,13-diethyl-18-methoxycarbonyl-3,7,12,17-tetramethyl-23,24-dihydroporphyrin-2-yl)butanoic acid IUPAC Name: 4-(8,13-diethyl-18-methoxycarbonyl-3,7,12,17-tetramethyl-23,24-dihydroporphyrin-2-yl)butanoic acid Traditional Name: 4-(18-carbomethoxy-8,13-diethyl-3,7,12,17-tetramethyl-23,24-dihydroporphin-2-yl)butyric acid Formula: C34H38N4O4 MolecularWeight: 566.68992

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=C3C(=C(C(=CC4=NC(=CC5=NC(=CC(=C1C)N2)C(=C5C)CC)C(=C4CCCC(=O)O)C)N3)C(=O)OC)C

Isomeric SMILES

CCC1=C2C=C3C(=C(C(=CC4=NC(=CC5=NC(=CC(=C1C)N2)C(=C5C)CC)C(=C4CCCC(=O)O)C)N3)C(=O)OC)C

InChI

InChI=1S/C34H38N4O4/c1-8-21-17(3)24-13-25-19(5)23(11-10-12-32(39)40)30(37-25)16-31-33(34(41)42-7)20(6)27(38-31)15-29-22(9-2)18(4)26(36-29)14-28(21)35-24/h13-16,36,38H,8-12H2,1-7H3,(H,39,40)