2-[(2,4-dichlorophenyl)carbonyl-(pyrrolidin-2-ylmethyl)amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(2,4-dichlorophenyl)carbonyl-(pyrrolidin-2-ylmethyl)amino]-3-phenyl-propanoic acid Openeye Name: 2-[(2,4-dichlorobenzoyl)-(pyrrolidin-2-ylmethyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[[(2,4-dichlorophenyl)-oxomethyl]-(2-pyrrolidinylmethyl)amino]-3-phenylpropanoic acid IUPAC Name: 2-[(2,4-dichlorobenzoyl)-(pyrrolidin-2-ylmethyl)amino]-3-phenylpropanoic acid Traditional Name: 2-[(2,4-dichlorobenzoyl)-(pyrrolidin-2-ylmethyl)amino]-3-phenyl-propionic acid Formula: C21H22Cl2N2O3 MolecularWeight: 421.31698

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)CN(C(CC2=CC=CC=C2)C(=O)O)C(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1CC(NC1)CN(C(CC2=CC=CC=C2)C(=O)O)C(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H22Cl2N2O3/c22-15-8-9-17(18(23)12-15)20(26)25(13-16-7-4-10-24-16)19(21(27)28)11-14-5-2-1-3-6-14/h1-3,5-6,8-9,12,16,19,24H,4,7,10-11,13H2,(H,27,28)