[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxidanylidene-ethyl] 3-chloranyl-4-ethoxy-5-methoxy-benzoate

Systemtic Name: [2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxidanylidene-ethyl] 3-chloranyl-4-ethoxy-5-methoxy-benzoate Openeye Name: [2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxo-ethyl] 3-chloro-4-ethoxy-5-methoxy-benzoate CAS Name: 3-chloro-4-ethoxy-5-methoxybenzoic acid [2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate Traditional Name: 3-chloro-4-ethoxy-5-methoxy-benzoic acid [2-keto-2-[methyl-[(1R)-1-phenylethyl]amino]ethyl] ester Formula: C21H24ClNO5 MolecularWeight: 405.87196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)N(C)C(C)C2=CC=CC=C2)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)N(C)[C@H](C)C2=CC=CC=C2)OC

InChI

InChI=1S/C21H24ClNO5/c1-5-27-20-17(22)11-16(12-18(20)26-4)21(25)28-13-19(24)23(3)14(2)15-9-7-6-8-10-15/h6-12,14H,5,13H2,1-4H3/t14-/m1/s1