methanamine; methyl 5,7-bis(chloranyl)-1-[2-(4-methylphenyl)ethanoylamino]-3,4-dihydro-2H-quinoline-2-carboxylate; hydrochloride

Systemtic Name: methanamine; methyl 5,7-bis(chloranyl)-1-[2-(4-methylphenyl)ethanoylamino]-3,4-dihydro-2H-quinoline-2-carboxylate; hydrochloride Openeye Name: methanamine; methyl 5,7-dichloro-1-[[2-(p-tolyl)acetyl]amino]-3,4-dihydro-2H-quinoline-2-carboxylate; hydrochloride CAS Name: 5,7-dichloro-1-[[2-(4-methylphenyl)-1-oxoethyl]amino]-3,4-dihydro-2H-quinoline-2-carboxylic acid methyl ester; methanamine; hydrochloride IUPAC Name: methanamine; methyl 5,7-dichloro-1-[[2-(4-methylphenyl)acetyl]amino]-3,4-dihydro-2H-quinoline-2-carboxylate; hydrochloride Traditional Name: 5,7-dichloro-1-[[2-(p-tolyl)acetyl]amino]-3,4-dihydro-2H-quinoline-2-carboxylic acid methyl ester; methylamine; hydrochloride Formula: C21H26Cl3N3O3 MolecularWeight: 474.80844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(=O)NN2C(CCC3=C(C=C(C=C32)Cl)Cl)C(=O)OC.CN.Cl

Isomeric SMILES

CC1=CC=C(C=C1)CC(=O)NN2C(CCC3=C(C=C(C=C32)Cl)Cl)C(=O)OC.CN.Cl

InChI

InChI=1S/C20H20Cl2N2O3.CH5N.ClH/c1-12-3-5-13(6-4-12)9-19(25)23-24-17(20(26)27-2)8-7-15-16(22)10-14(21)11-18(15)24;1-2;/h3-6,10-11,17H,7-9H2,1-2H3,(H,23,25);2H2,1H3;1H