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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O4/c1-4-8-18(14-9-6-5-7-10-14)24-20(25)13(2)28-21(26)15-11-16(22)17(23)12-19(15)27-3/h5-7,9-13,18H,4,8,23H2,1-3H3,(H,24,25)