methyl 3-azanyl-5-chloranyl-2-ethoxy-4-[ethoxycarbonyl-(phenylmethyl)amino]benzoate

Systemtic Name: methyl 3-azanyl-5-chloranyl-2-ethoxy-4-[ethoxycarbonyl-(phenylmethyl)amino]benzoate Openeye Name: methyl 3-amino-4-[benzyl(ethoxycarbonyl)amino]-5-chloro-2-ethoxy-benzoate CAS Name: 3-amino-5-chloro-2-ethoxy-4-[ethoxycarbonyl-(phenylmethyl)amino]benzoic acid methyl ester IUPAC Name: methyl 3-amino-4-[benzyl(ethoxycarbonyl)amino]-5-chloro-2-ethoxybenzoate Traditional Name: 3-amino-4-[benzyl(carbethoxy)amino]-5-chloro-2-ethoxy-benzoic acid methyl ester Formula: C20H23ClN2O5 MolecularWeight: 406.86002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C=C1C(=O)OC)Cl)N(CC2=CC=CC=C2)C(=O)OCC)N

Isomeric SMILES

CCOC1=C(C(=C(C=C1C(=O)OC)Cl)N(CC2=CC=CC=C2)C(=O)OCC)N

InChI

InChI=1S/C20H23ClN2O5/c1-4-27-18-14(19(24)26-3)11-15(21)17(16(18)22)23(20(25)28-5-2)12-13-9-7-6-8-10-13/h6-11H,4-5,12,22H2,1-3H3