3-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-2-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]indole-2-carboxylic acid hydrochloride

Systemtic Name: 3-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-2-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]indole-2-carboxylic acid hydrochloride Openeye Name: 1-tert-butoxycarbonyl-3-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-2-yl)indole-2-carboxylic acid hydrochloride CAS Name: 3-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-2-yl)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-indolecarboxylic acid hydrochloride IUPAC Name: 3-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-2-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]indole-2-carboxylic acid hydrochloride Traditional Name: 1-tert-butoxycarbonyl-3-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-2-yl)indole-2-carboxylic acid hydrochloride Formula: C22H29ClN2O4 MolecularWeight: 420.92966

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CCC(N(C1)C)C2=C(N(C3=CC=CC=C32)C(=O)OC(C)(C)C)C(=O)O.Cl

Isomeric SMILES

CCC1=CCC(N(C1)C)C2=C(N(C3=CC=CC=C32)C(=O)OC(C)(C)C)C(=O)O.Cl

InChI

InChI=1S/C22H28N2O4.ClH/c1-6-14-11-12-17(23(5)13-14)18-15-9-7-8-10-16(15)24(19(18)20(25)26)21(27)28-22(2,3)4;/h7-11,17H,6,12-13H2,1-5H3,(H,25,26);1H