3-[(2-chlorophenyl)methylamino]-4-(pentanoylamino)benzoic acid

Systemtic Name: 3-[(2-chlorophenyl)methylamino]-4-(pentanoylamino)benzoic acid Openeye Name: 3-[(2-chlorophenyl)methylamino]-4-(pentanoylamino)benzoic acid CAS Name: 3-[(2-chlorophenyl)methylamino]-4-(1-oxopentylamino)benzoic acid IUPAC Name: 3-[(2-chlorophenyl)methylamino]-4-(pentanoylamino)benzoic acid Traditional Name: 3-[(2-chlorobenzyl)amino]-4-(valerylamino)benzoic acid Formula: C19H21ClN2O3 MolecularWeight: 360.83464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C=C(C=C1)C(=O)O)NCC2=CC=CC=C2Cl

Isomeric SMILES

CCCCC(=O)NC1=C(C=C(C=C1)C(=O)O)NCC2=CC=CC=C2Cl

InChI

InChI=1S/C19H21ClN2O3/c1-2-3-8-18(23)22-16-10-9-13(19(24)25)11-17(16)21-12-14-6-4-5-7-15(14)20/h4-7,9-11,21H,2-3,8,12H2,1H3,(H,22,23)(H,24,25)