[2-oxidanylidene-2-[phenethyl-(phenylmethyl)amino]ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-[phenethyl-(phenylmethyl)amino]ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: [2-[benzyl(phenethyl)amino]-2-oxo-ethyl] 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid [2-oxo-2-[phenethyl-(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-[benzyl(phenethyl)amino]-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid [2-[benzyl(phenethyl)amino]-2-keto-ethyl] ester Formula: C25H25ClN2O4 MolecularWeight: 452.93

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3)Cl)N

InChI

InChI=1S/C25H25ClN2O4/c1-31-23-15-22(27)21(26)14-20(23)25(30)32-17-24(29)28(16-19-10-6-3-7-11-19)13-12-18-8-4-2-5-9-18/h2-11,14-15H,12-13,16-17,27H2,1H3