4-[4-[4-[(2-bromophenyl)carbamoylamino]-3-methoxy-5-phenyl-phenyl]-3-oxidanylidene-2-pyrrolidin-2-yl-butan-2-yl]oxybenzoic acid

Systemtic Name: 4-[4-[4-[(2-bromophenyl)carbamoylamino]-3-methoxy-5-phenyl-phenyl]-3-oxidanylidene-2-pyrrolidin-2-yl-butan-2-yl]oxybenzoic acid Openeye Name: 4-[3-[4-[(2-bromophenyl)carbamoylamino]-3-methoxy-5-phenyl-phenyl]-1-methyl-2-oxo-1-pyrrolidin-2-yl-propoxy]benzoic acid CAS Name: 4-[4-[4-[[(2-bromoanilino)-oxomethyl]amino]-3-methoxy-5-phenylphenyl]-3-oxo-2-(2-pyrrolidinyl)butan-2-yl]oxybenzoic acid IUPAC Name: 4-[4-[4-[(2-bromophenyl)carbamoylamino]-3-methoxy-5-phenylphenyl]-3-oxo-2-pyrrolidin-2-ylbutan-2-yl]oxybenzoic acid Traditional Name: 4-[3-[4-[(2-bromophenyl)carbamoylamino]-3-methoxy-5-phenyl-phenyl]-2-keto-1-methyl-1-pyrrolidin-2-yl-propoxy]benzoic acid Formula: C35H34BrN3O6 MolecularWeight: 672.56496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCN1)(C(=O)CC2=CC(=C(C(=C2)C3=CC=CC=C3)NC(=O)NC4=CC=CC=C4Br)OC)OC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

CC(C1CCCN1)(C(=O)CC2=CC(=C(C(=C2)C3=CC=CC=C3)NC(=O)NC4=CC=CC=C4Br)OC)OC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C35H34BrN3O6/c1-35(30-13-8-18-37-30,45-25-16-14-24(15-17-25)33(41)42)31(40)21-22-19-26(23-9-4-3-5-10-23)32(29(20-22)44-2)39-34(43)38-28-12-7-6-11-27(28)36/h3-7,9-12,14-17,19-20,30,37H,8,13,18,21H2,1-2H3,(H,41,42)(H2,38,39,43)