[2-[(2-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-benzamidopropanoate

Systemtic Name: [2-[(2-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-benzamidopropanoate Openeye Name: [2-(2-methyl-4-pyrrolidin-1-yl-anilino)-2-oxo-ethyl] (2S)-2-benzamidopropanoate CAS Name: (2S)-2-benzamidopropanoic acid [2-[2-methyl-4-(1-pyrrolidinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate Traditional Name: (2S)-2-benzamidopropionic acid [2-keto-2-(2-methyl-4-pyrrolidino-anilino)ethyl] ester Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)COC(=O)C(C)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)COC(=O)[C@H](C)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H27N3O4/c1-16-14-19(26-12-6-7-13-26)10-11-20(16)25-21(27)15-30-23(29)17(2)24-22(28)18-8-4-3-5-9-18/h3-5,8-11,14,17H,6-7,12-13,15H2,1-2H3,(H,24,28)(H,25,27)/t17-/m0/s1