methyl (3S)-4-[(2S)-2-cyanopyrrolidin-1-yl]-3-[(2-methoxyphenyl)carbonylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl (3S)-4-[(2S)-2-cyanopyrrolidin-1-yl]-3-[(2-methoxyphenyl)carbonylamino]-4-oxidanylidene-butanoate Openeye Name: methyl (3S)-4-[(2S)-2-cyanopyrrolidin-1-yl]-3-[(2-methoxybenzoyl)amino]-4-oxo-butanoate CAS Name: (3S)-4-[(2S)-2-cyano-1-pyrrolidinyl]-3-[[(2-methoxyphenyl)-oxomethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl (3S)-4-[(2S)-2-cyanopyrrolidin-1-yl]-3-[(2-methoxybenzoyl)amino]-4-oxobutanoate Traditional Name: (3S)-4-[(2S)-2-cyanopyrrolidino]-4-keto-3-(o-anisoylamino)butyric acid methyl ester Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(CC(=O)OC)C(=O)N2CCCC2C#N

Isomeric SMILES

COC1=CC=CC=C1C(=O)N[C@@H](CC(=O)OC)C(=O)N2CCC[C@H]2C#N

InChI

InChI=1S/C18H21N3O5/c1-25-15-8-4-3-7-13(15)17(23)20-14(10-16(22)26-2)18(24)21-9-5-6-12(21)11-19/h3-4,7-8,12,14H,5-6,9-10H2,1-2H3,(H,20,23)/t12-,14-/m0/s1