2-[[2-(phenylcarbonyl)cyclohexen-1-yl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid

Systemtic Name: 2-[[2-(phenylcarbonyl)cyclohexen-1-yl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid Openeye Name: 2-[(2-benzoylcyclohexen-1-yl)amino]-3-(4-benzyloxyphenyl)propanoic acid CAS Name: 2-[(2-benzoyl-1-cyclohexenyl)amino]-3-(4-phenylmethoxyphenyl)propanoic acid IUPAC Name: 2-[(2-benzoylcyclohexen-1-yl)amino]-3-(4-phenylmethoxyphenyl)propanoic acid Traditional Name: 3-(4-benzoxyphenyl)-2-[(2-benzoylcyclohexen-1-yl)amino]propionic acid Formula: C29H29NO4 MolecularWeight: 455.54486

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C(C1)C(=O)C2=CC=CC=C2)NC(CC3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CCC(=C(C1)C(=O)C2=CC=CC=C2)NC(CC3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C29H29NO4/c31-28(23-11-5-2-6-12-23)25-13-7-8-14-26(25)30-27(29(32)33)19-21-15-17-24(18-16-21)34-20-22-9-3-1-4-10-22/h1-6,9-12,15-18,27,30H,7-8,13-14,19-20H2,(H,32,33)