[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-acetamido-3-(1H-indol-3-yl)propanoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-acetamido-3-(1H-indol-3-yl)propanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-acetamido-3-(1H-indol-3-yl)propanoate CAS Name: 2-acetamido-3-(1H-indol-3-yl)propanoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-acetamido-3-(1H-indol-3-yl)propanoate Traditional Name: 2-acetamido-3-(1H-indol-3-yl)propionic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OCC(=O)N3CCCCCC3

Isomeric SMILES

CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OCC(=O)N3CCCCCC3

InChI

InChI=1S/C21H27N3O4/c1-15(25)23-19(12-16-13-22-18-9-5-4-8-17(16)18)21(27)28-14-20(26)24-10-6-2-3-7-11-24/h4-5,8-9,13,19,22H,2-3,6-7,10-12,14H2,1H3,(H,23,25)