[2-[(2-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-3-chloranyl-benzoate

Systemtic Name: [2-[(2-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-3-chloranyl-benzoate Openeye Name: [2-(2-methyl-4-pyrrolidin-1-yl-anilino)-2-oxo-ethyl] 2-amino-3-chloro-benzoate CAS Name: 2-amino-3-chlorobenzoic acid [2-[2-methyl-4-(1-pyrrolidinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl] 2-amino-3-chlorobenzoate Traditional Name: 2-amino-3-chloro-benzoic acid [2-keto-2-(2-methyl-4-pyrrolidino-anilino)ethyl] ester Formula: C20H22ClN3O3 MolecularWeight: 387.85998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)COC(=O)C3=C(C(=CC=C3)Cl)N

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)COC(=O)C3=C(C(=CC=C3)Cl)N

InChI

InChI=1S/C20H22ClN3O3/c1-13-11-14(24-9-2-3-10-24)7-8-17(13)23-18(25)12-27-20(26)15-5-4-6-16(21)19(15)22/h4-8,11H,2-3,9-10,12,22H2,1H3,(H,23,25)