butyl 4-[[2-[(3-chlorophenyl)carbamoylamino]-3-phenyl-propanoyl]amino]benzoate

Systemtic Name: butyl 4-[[2-[(3-chlorophenyl)carbamoylamino]-3-phenyl-propanoyl]amino]benzoate Openeye Name: butyl 4-[[2-[(3-chlorophenyl)carbamoylamino]-3-phenyl-propanoyl]amino]benzoate CAS Name: 4-[[2-[[(3-chloroanilino)-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[(3-chlorophenyl)carbamoylamino]-3-phenylpropanoyl]amino]benzoate Traditional Name: 4-[[2-[(3-chlorophenyl)carbamoylamino]-3-phenyl-propanoyl]amino]benzoic acid butyl ester Formula: C27H28ClN3O4 MolecularWeight: 493.98192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C27H28ClN3O4/c1-2-3-16-35-26(33)20-12-14-22(15-13-20)29-25(32)24(17-19-8-5-4-6-9-19)31-27(34)30-23-11-7-10-21(28)18-23/h4-15,18,24H,2-3,16-17H2,1H3,(H,29,32)(H2,30,31,34)