4-[[(3-bromophenyl)carbamoyl-[4-(cyclohexen-1-yl)phenyl]amino]methyl]benzoic acid

Systemtic Name: 4-[[(3-bromophenyl)carbamoyl-[4-(cyclohexen-1-yl)phenyl]amino]methyl]benzoic acid Openeye Name: 4-[[N-[(3-bromophenyl)carbamoyl]-4-(cyclohexen-1-yl)anilino]methyl]benzoic acid CAS Name: 4-[[N-[(3-bromoanilino)-oxomethyl]-4-(1-cyclohexenyl)anilino]methyl]benzoic acid IUPAC Name: 4-[[N-[(3-bromophenyl)carbamoyl]-4-(cyclohexen-1-yl)anilino]methyl]benzoic acid Traditional Name: 4-[[N-[(3-bromophenyl)carbamoyl]-4-(cyclohexen-1-yl)anilino]methyl]benzoic acid Formula: C27H25BrN2O3 MolecularWeight: 505.403

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)C2=CC=C(C=C2)N(CC3=CC=C(C=C3)C(=O)O)C(=O)NC4=CC(=CC=C4)Br

Isomeric SMILES

C1CCC(=CC1)C2=CC=C(C=C2)N(CC3=CC=C(C=C3)C(=O)O)C(=O)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C27H25BrN2O3/c28-23-7-4-8-24(17-23)29-27(33)30(18-19-9-11-22(12-10-19)26(31)32)25-15-13-21(14-16-25)20-5-2-1-3-6-20/h4-5,7-17H,1-3,6,18H2,(H,29,33)(H,31,32)