[2-[(2-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylideneazepan-1-yl)ethanoate

Systemtic Name: [2-[(2-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylideneazepan-1-yl)ethanoate Openeye Name: [2-(2-methyl-4-pyrrolidin-1-yl-anilino)-2-oxo-ethyl] 2-(2-oxoazepan-1-yl)acetate CAS Name: 2-(2-oxo-1-azepanyl)acetic acid [2-[2-methyl-4-(1-pyrrolidinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate Traditional Name: 2-(2-ketoazepan-1-yl)acetic acid [2-keto-2-(2-methyl-4-pyrrolidino-anilino)ethyl] ester Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)COC(=O)CN3CCCCCC3=O

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)COC(=O)CN3CCCCCC3=O

InChI

InChI=1S/C21H29N3O4/c1-16-13-17(23-10-5-6-11-23)8-9-18(16)22-19(25)15-28-21(27)14-24-12-4-2-3-7-20(24)26/h8-9,13H,2-7,10-12,14-15H2,1H3,(H,22,25)