2-[3-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-2-oxidanylidene-azocan-1-yl]ethanoic acid hydrochloride

Systemtic Name: 2-[3-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-2-oxidanylidene-azocan-1-yl]ethanoic acid hydrochloride Openeye Name: 2-[3-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]-2-oxo-azocan-1-yl]acetic acid hydrochloride CAS Name: 2-[3-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-2-oxo-1-azocanyl]acetic acid hydrochloride IUPAC Name: 2-[3-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-2-oxoazocan-1-yl]acetic acid hydrochloride Traditional Name: 2-[3-[(1-carbethoxy-3-phenyl-propyl)amino]-2-keto-azocan-1-yl]acetic acid hydrochloride Formula: C21H31ClN2O5 MolecularWeight: 426.93424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC2CCCCCN(C2=O)CC(=O)O.Cl

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC2CCCCCN(C2=O)CC(=O)O.Cl

InChI

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