[2-[1-cyclopropylethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 3-azanyl-4-chloranyl-benzoate

Systemtic Name: [2-[1-cyclopropylethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 3-azanyl-4-chloranyl-benzoate Openeye Name: [2-[benzyl(1-cyclopropylethyl)amino]-2-oxo-ethyl] 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid [2-[1-cyclopropylethyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl] 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid [2-[benzyl(1-cyclopropylethyl)amino]-2-keto-ethyl] ester Formula: C21H23ClN2O3 MolecularWeight: 386.87192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)N(CC2=CC=CC=C2)C(=O)COC(=O)C3=CC(=C(C=C3)Cl)N

Isomeric SMILES

CC(C1CC1)N(CC2=CC=CC=C2)C(=O)COC(=O)C3=CC(=C(C=C3)Cl)N

InChI

InChI=1S/C21H23ClN2O3/c1-14(16-7-8-16)24(12-15-5-3-2-4-6-15)20(25)13-27-21(26)17-9-10-18(22)19(23)11-17/h2-6,9-11,14,16H,7-8,12-13,23H2,1H3