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

Systemtic Name: [2-oxidanylidene-2-(1-phenylbutylamino)ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: [2-oxo-2-(1-phenylbutylamino)ethyl] 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid [2-oxo-2-(1-phenylbutylamino)ethyl] ester IUPAC Name: [2-oxo-2-(1-phenylbutylamino)ethyl] 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid [2-keto-2-(1-phenylbutylamino)ethyl] ester Formula: C20H23ClN2O4 MolecularWeight: 390.86062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O4/c1-3-7-17(13-8-5-4-6-9-13)23-19(24)12-27-20(25)14-10-15(21)16(22)11-18(14)26-2/h4-6,8-11,17H,3,7,12,22H2,1-2H3,(H,23,24)