5-[2-(2-methyl-3-naphthalen-1-ylcarbonyl-indol-1-yl)ethylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-(2-methyl-3-naphthalen-1-ylcarbonyl-indol-1-yl)ethylamino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[2-[2-methyl-3-(naphthalene-1-carbonyl)indol-1-yl]ethylamino]benzoic acid CAS Name: 2-hydroxy-5-[2-[2-methyl-3-[1-naphthalenyl(oxo)methyl]-1-indolyl]ethylamino]benzoic acid IUPAC Name: 2-hydroxy-5-[2-[2-methyl-3-(naphthalene-1-carbonyl)indol-1-yl]ethylamino]benzoic acid Traditional Name: 2-hydroxy-5-[2-[2-methyl-3-(1-naphthoyl)indol-1-yl]ethylamino]benzoic acid Formula: C29H24N2O4 MolecularWeight: 464.51186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1CCNC3=CC(=C(C=C3)O)C(=O)O)C(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1CCNC3=CC(=C(C=C3)O)C(=O)O)C(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C29H24N2O4/c1-18-27(28(33)22-11-6-8-19-7-2-3-9-21(19)22)23-10-4-5-12-25(23)31(18)16-15-30-20-13-14-26(32)24(17-20)29(34)35/h2-14,17,30,32H,15-16H2,1H3,(H,34,35)