methyl (E)-3-[4-(6-azanylhexanoylamino)phenyl]prop-2-enoate hydrochloride

Systemtic Name: methyl (E)-3-[4-(6-azanylhexanoylamino)phenyl]prop-2-enoate hydrochloride Openeye Name: methyl (E)-3-[4-(6-aminohexanoylamino)phenyl]prop-2-enoate hydrochloride CAS Name: (E)-3-[4-[(6-amino-1-oxohexyl)amino]phenyl]-2-propenoic acid methyl ester hydrochloride IUPAC Name: methyl (E)-3-[4-(6-aminohexanoylamino)phenyl]prop-2-enoate hydrochloride Traditional Name: (E)-3-[4-(6-aminohexanoylamino)phenyl]acrylic acid methyl ester hydrochloride Formula: C16H23ClN2O3 MolecularWeight: 326.81842

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=CC=C(C=C1)NC(=O)CCCCCN.Cl

Isomeric SMILES

COC(=O)/C=C/C1=CC=C(C=C1)NC(=O)CCCCCN.Cl

InChI

InChI=1S/C16H22N2O3.ClH/c1-21-16(20)11-8-13-6-9-14(10-7-13)18-15(19)5-3-2-4-12-17;/h6-11H,2-5,12,17H2,1H3,(H,18,19);1H/b11-8+;