[2-oxidanylidene-2-(2-phenylpropylamino)ethyl] 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylpropylamino)ethyl] 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-oxo-2-(2-phenylpropylamino)ethyl] 4-(3-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitrobenzoic acid [2-oxo-2-(2-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylpropylamino)ethyl] 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3-methylpiperidino)-3-nitro-benzoic acid [2-keto-2-(2-phenylpropylamino)ethyl] ester Formula: C24H29N3O5 MolecularWeight: 439.50416

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NCC(C)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NCC(C)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H29N3O5/c1-17-7-6-12-26(15-17)21-11-10-20(13-22(21)27(30)31)24(29)32-16-23(28)25-14-18(2)19-8-4-3-5-9-19/h3-5,8-11,13,17-18H,6-7,12,14-16H2,1-2H3,(H,25,28)