2-[(2,4-dichlorophenyl)carbonyl-(1-phenylmethoxycarbonylpiperidin-4-yl)amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(2,4-dichlorophenyl)carbonyl-(1-phenylmethoxycarbonylpiperidin-4-yl)amino]-3-phenyl-propanoic acid Openeye Name: 2-[(1-benzyloxycarbonyl-4-piperidyl)-(2,4-dichlorobenzoyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[[(2,4-dichlorophenyl)-oxomethyl]-(1-phenylmethoxycarbonyl-4-piperidinyl)amino]-3-phenylpropanoic acid IUPAC Name: 2-[(2,4-dichlorobenzoyl)-(1-phenylmethoxycarbonylpiperidin-4-yl)amino]-3-phenylpropanoic acid Traditional Name: 2-[(1-carbobenzoxy-4-piperidyl)-(2,4-dichlorobenzoyl)amino]-3-phenyl-propionic acid Formula: C29H28Cl2N2O5 MolecularWeight: 555.44902

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N(C(CC2=CC=CC=C2)C(=O)O)C(=O)C3=C(C=C(C=C3)Cl)Cl)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1N(C(CC2=CC=CC=C2)C(=O)O)C(=O)C3=C(C=C(C=C3)Cl)Cl)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H28Cl2N2O5/c30-22-11-12-24(25(31)18-22)27(34)33(26(28(35)36)17-20-7-3-1-4-8-20)23-13-15-32(16-14-23)29(37)38-19-21-9-5-2-6-10-21/h1-12,18,23,26H,13-17,19H2,(H,35,36)