2-[4-[(4-bromophenyl)carbonylamino]-3-[(4-butylphenyl)amino]phenoxy]-3-phenyl-propanoic acid

Systemtic Name: 2-[4-[(4-bromophenyl)carbonylamino]-3-[(4-butylphenyl)amino]phenoxy]-3-phenyl-propanoic acid Openeye Name: 2-[4-[(4-bromobenzoyl)amino]-3-(4-butylanilino)phenoxy]-3-phenyl-propanoic acid CAS Name: 2-[4-[[(4-bromophenyl)-oxomethyl]amino]-3-(4-butylanilino)phenoxy]-3-phenylpropanoic acid IUPAC Name: 2-[4-[(4-bromobenzoyl)amino]-3-(4-butylanilino)phenoxy]-3-phenylpropanoic acid Traditional Name: 2-[4-[(4-bromobenzoyl)amino]-3-(4-butylanilino)phenoxy]-3-phenyl-propionic acid Formula: C32H31BrN2O4 MolecularWeight: 587.50354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C=CC(=C2)OC(CC3=CC=CC=C3)C(=O)O)NC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C=CC(=C2)OC(CC3=CC=CC=C3)C(=O)O)NC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C32H31BrN2O4/c1-2-3-7-22-10-16-26(17-11-22)34-29-21-27(39-30(32(37)38)20-23-8-5-4-6-9-23)18-19-28(29)35-31(36)24-12-14-25(33)15-13-24/h4-6,8-19,21,30,34H,2-3,7,20H2,1H3,(H,35,36)(H,37,38)