methyl 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-1-oxidanylidene-isoquinoline-6-carboxylate hydrochloride

Systemtic Name: methyl 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-1-oxidanylidene-isoquinoline-6-carboxylate hydrochloride Openeye Name: methyl 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-1-oxo-isoquinoline-6-carboxylate hydrochloride CAS Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-1-oxo-6-isoquinolinecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-1-oxoisoquinoline-6-carboxylate hydrochloride Traditional Name: 3-(aminomethyl)-4-butoxy-1-keto-2-neopentyl-isoquinoline-6-carboxylic acid methyl ester hydrochloride Formula: C21H31ClN2O4 MolecularWeight: 410.93484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C(=O)OC)CC(C)(C)C)CN.Cl

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C(=O)OC)CC(C)(C)C)CN.Cl

InChI

InChI=1S/C21H30N2O4.ClH/c1-6-7-10-27-18-16-11-14(20(25)26-5)8-9-15(16)19(24)23(17(18)12-22)13-21(2,3)4;/h8-9,11H,6-7,10,12-13,22H2,1-5H3;1H