3-(8,13-diethyl-3,7,12,17-tetramethyl-23,24-dihydroporphyrin-2-yl)propanoic acid

Systemtic Name: 3-(8,13-diethyl-3,7,12,17-tetramethyl-23,24-dihydroporphyrin-2-yl)propanoic acid Openeye Name: 3-(8,13-diethyl-3,7,12,17-tetramethyl-23,24-dihydroporphyrin-2-yl)propanoic acid CAS Name: 3-(8,13-diethyl-3,7,12,17-tetramethyl-23,24-dihydroporphyrin-2-yl)propanoic acid IUPAC Name: 3-(8,13-diethyl-3,7,12,17-tetramethyl-23,24-dihydroporphyrin-2-yl)propanoic acid Traditional Name: 3-(8,13-diethyl-3,7,12,17-tetramethyl-23,24-dihydroporphin-2-yl)propionic acid Formula: C31H34N4O2 MolecularWeight: 494.62726

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=C3C(=CC(=CC4=NC(=CC5=NC(=CC(=C1C)N2)C(=C5C)CC)C(=C4CCC(=O)O)C)N3)C

Isomeric SMILES

CCC1=C2C=C3C(=CC(=CC4=NC(=CC5=NC(=CC(=C1C)N2)C(=C5C)CC)C(=C4CCC(=O)O)C)N3)C

InChI

InChI=1S/C31H34N4O2/c1-7-21-18(5)27-15-30-22(8-2)17(4)25(34-30)14-26-19(6)23(9-10-31(36)37)28(33-26)12-20-11-16(3)24(32-20)13-29(21)35-27/h11-15,32,35H,7-10H2,1-6H3,(H,36,37)