ethyl 1-[[2-azanyl-3-(3-phenoxyphenyl)propanoyl]amino]piperidine-4-carboxylate hydrochloride

Systemtic Name: ethyl 1-[[2-azanyl-3-(3-phenoxyphenyl)propanoyl]amino]piperidine-4-carboxylate hydrochloride Openeye Name: ethyl 1-[[2-amino-3-(3-phenoxyphenyl)propanoyl]amino]piperidine-4-carboxylate hydrochloride CAS Name: 1-[[2-amino-1-oxo-3-(3-phenoxyphenyl)propyl]amino]-4-piperidinecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 1-[[2-amino-3-(3-phenoxyphenyl)propanoyl]amino]piperidine-4-carboxylate hydrochloride Traditional Name: 1-[[2-amino-3-(3-phenoxyphenyl)propanoyl]amino]isonipecotic acid ethyl ester hydrochloride Formula: C23H30ClN3O4 MolecularWeight: 447.955

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)NC(=O)C(CC2=CC(=CC=C2)OC3=CC=CC=C3)N.Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)NC(=O)C(CC2=CC(=CC=C2)OC3=CC=CC=C3)N.Cl

InChI

InChI=1S/C23H29N3O4.ClH/c1-2-29-23(28)18-11-13-26(14-12-18)25-22(27)21(24)16-17-7-6-10-20(15-17)30-19-8-4-3-5-9-19;/h3-10,15,18,21H,2,11-14,16,24H2,1H3,(H,25,27);1H