2-methoxyethyl 4-[2-cyanoethyl-(phenylmethyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[2-cyanoethyl-(phenylmethyl)amino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[benzyl(2-cyanoethyl)amino]-4-oxo-butanoate CAS Name: 4-[2-cyanoethyl-(phenylmethyl)amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[benzyl(2-cyanoethyl)amino]-4-oxobutanoate Traditional Name: 4-[benzyl(2-cyanoethyl)amino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CCC(=O)N(CCC#N)CC1=CC=CC=C1

Isomeric SMILES

COCCOC(=O)CCC(=O)N(CCC#N)CC1=CC=CC=C1

InChI

InChI=1S/C17H22N2O4/c1-22-12-13-23-17(21)9-8-16(20)19(11-5-10-18)14-15-6-3-2-4-7-15/h2-4,6-7H,5,8-9,11-14H2,1H3