[2-(butylamino)-2-methyl-propyl] (E)-3-(4-butoxyphenyl)prop-2-enoate hydrochloride

Systemtic Name: [2-(butylamino)-2-methyl-propyl] (E)-3-(4-butoxyphenyl)prop-2-enoate hydrochloride Openeye Name: [2-(butylamino)-2-methyl-propyl] (E)-3-(4-butoxyphenyl)prop-2-enoate hydrochloride CAS Name: (E)-3-(4-butoxyphenyl)-2-propenoic acid [2-(butylamino)-2-methylpropyl] ester hydrochloride IUPAC Name: [2-(butylamino)-2-methylpropyl] (E)-3-(4-butoxyphenyl)prop-2-enoate hydrochloride Traditional Name: (E)-3-(4-butoxyphenyl)acrylic acid [2-(butylamino)-2-methyl-propyl] ester hydrochloride Formula: C21H34ClNO3 MolecularWeight: 383.95256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(C)(C)COC(=O)C=CC1=CC=C(C=C1)OCCCC.Cl

Isomeric SMILES

CCCCNC(C)(C)COC(=O)/C=C/C1=CC=C(C=C1)OCCCC.Cl

InChI

InChI=1S/C21H33NO3.ClH/c1-5-7-15-22-21(3,4)17-25-20(23)14-11-18-9-12-19(13-10-18)24-16-8-6-2;/h9-14,22H,5-8,15-17H2,1-4H3;1H/b14-11+;