[1-[(4-butan-2-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: [1-[(4-butan-2-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: [1-methyl-2-oxo-2-(4-sec-butylanilino)ethyl] 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid [1-(4-butan-2-ylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-butan-2-ylanilino)-1-oxopropan-2-yl] 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid [2-keto-1-methyl-2-(4-sec-butylanilino)ethyl] ester Formula: C21H25ClN2O4 MolecularWeight: 404.8872

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC(=C(C=C2OC)N)Cl

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC(=C(C=C2OC)N)Cl

InChI

InChI=1S/C21H25ClN2O4/c1-5-12(2)14-6-8-15(9-7-14)24-20(25)13(3)28-21(26)16-10-17(22)18(23)11-19(16)27-4/h6-13H,5,23H2,1-4H3,(H,24,25)