(2R)-2-(2-diethylaminoethylazaniumyl)-4-[(3-methoxyphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-(2-diethylaminoethylazaniumyl)-4-[(3-methoxyphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(2-diethylaminoethylammonio)-4-(3-methoxyanilino)-4-oxo-butanoate CAS Name: (2R)-2-(2-diethylaminoethylammonio)-4-(3-methoxyanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(2-diethylaminoethylazaniumyl)-4-(3-methoxyanilino)-4-oxobutanoate Traditional Name: (2R)-2-(2-diethylaminoethylammonio)-4-keto-4-(m-anisidino)butyrate Formula: C17H27N3O4 MolecularWeight: 337.41398

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC[NH2+]C(CC(=O)NC1=CC(=CC=C1)OC)C(=O)[O-]

Isomeric SMILES

CCN(CC)CC[NH2+][C@H](CC(=O)NC1=CC(=CC=C1)OC)C(=O)[O-]

InChI

InChI=1S/C17H27N3O4/c1-4-20(5-2)10-9-18-15(17(22)23)12-16(21)19-13-7-6-8-14(11-13)24-3/h6-8,11,15,18H,4-5,9-10,12H2,1-3H3,(H,19,21)(H,22,23)/t15-/m1/s1