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

Systemtic Name: 2-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl-pyrrol-1-yl-amino]ethanoic acid hydrochloride Openeye Name: 2-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl-pyrrol-1-yl-amino]acetic acid hydrochloride CAS Name: 2-[[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-(1-pyrrolyl)amino]acetic acid hydrochloride IUPAC Name: 2-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl-pyrrol-1-ylamino]acetic acid hydrochloride Traditional Name: 2-[2-[(1-carbethoxy-3-phenyl-propyl)amino]propanoyl-pyrrol-1-yl-amino]acetic acid hydrochloride Formula: C21H28ClN3O5 MolecularWeight: 437.91712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N(CC(=O)O)N2C=CC=C2.Cl

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N(CC(=O)O)N2C=CC=C2.Cl

InChI

InChI=1S/C21H27N3O5.ClH/c1-3-29-21(28)18(12-11-17-9-5-4-6-10-17)22-16(2)20(27)24(15-19(25)26)23-13-7-8-14-23;/h4-10,13-14,16,18,22H,3,11-12,15H2,1-2H3,(H,25,26);1H