2-[3-[(1-ethoxy-1-oxidanylidene-5-phenyl-pentan-2-yl)amino]-2-oxidanylidene-azepan-1-yl]ethanoic acid

Systemtic Name: 2-[3-[(1-ethoxy-1-oxidanylidene-5-phenyl-pentan-2-yl)amino]-2-oxidanylidene-azepan-1-yl]ethanoic acid Openeye Name: 2-[3-[(1-ethoxycarbonyl-4-phenyl-butyl)amino]-2-oxo-azepan-1-yl]acetic acid CAS Name: 2-[3-[(1-ethoxy-1-oxo-5-phenylpentan-2-yl)amino]-2-oxo-1-azepanyl]acetic acid IUPAC Name: 2-[3-[(1-ethoxy-1-oxo-5-phenylpentan-2-yl)amino]-2-oxoazepan-1-yl]acetic acid Traditional Name: 2-[3-[(1-carbethoxy-4-phenyl-butyl)amino]-2-keto-azepan-1-yl]acetic acid Formula: C21H30N2O5 MolecularWeight: 390.4733

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCC1=CC=CC=C1)NC2CCCCN(C2=O)CC(=O)O

Isomeric SMILES

CCOC(=O)C(CCCC1=CC=CC=C1)NC2CCCCN(C2=O)CC(=O)O

InChI

InChI=1S/C21H30N2O5/c1-2-28-21(27)18(13-8-11-16-9-4-3-5-10-16)22-17-12-6-7-14-23(20(17)26)15-19(24)25/h3-5,9-10,17-18,22H,2,6-8,11-15H2,1H3,(H,24,25)