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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CCCN(C1C2=C(N(C3=CC=CC=C32)C(=O)OC(C)(C)C)C(=O)O)C.Cl

Isomeric SMILES

CCC1=CCCN(C1C2=C(N(C3=CC=CC=C32)C(=O)OC(C)(C)C)C(=O)O)C.Cl

InChI

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