[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-benzamido-3-phenyl-propanoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-benzamido-3-phenyl-propanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-benzamido-3-phenyl-propanoate CAS Name: 2-benzamido-3-phenylpropanoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-benzamido-3-phenylpropanoate Traditional Name: 2-benzamido-3-phenyl-propionic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H28N2O4/c27-22(26-15-9-1-2-10-16-26)18-30-24(29)21(17-19-11-5-3-6-12-19)25-23(28)20-13-7-4-8-14-20/h3-8,11-14,21H,1-2,9-10,15-18H2,(H,25,28)