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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-(phenylcarbamoylamino)propanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 3-(phenylcarbamoylamino)propanoate CAS Name: 3-[[anilino(oxo)methyl]amino]propanoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate Traditional Name: 3-(phenylcarbamoylamino)propionic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C18H25N3O4 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)CCNC(=O)NC2=CC=CC=C2

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)CCNC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C18H25N3O4/c22-16(21-12-6-1-2-7-13-21)14-25-17(23)10-11-19-18(24)20-15-8-4-3-5-9-15/h3-5,8-9H,1-2,6-7,10-14H2,(H2,19,20,24)