[2-[(4-methylphenyl)methyl-propyl-amino]-2-oxidanylidene-ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: [2-[(4-methylphenyl)methyl-propyl-amino]-2-oxidanylidene-ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [2-oxo-2-[propyl(p-tolylmethyl)amino]ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-propenoic acid [2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)acrylic acid [2-keto-2-[(4-methylbenzyl)-propyl-amino]ethyl] ester Formula: C23H25NO5 MolecularWeight: 395.4483

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)C)C(=O)COC(=O)C=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)C)C(=O)COC(=O)/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C23H25NO5/c1-3-12-24(14-19-6-4-17(2)5-7-19)22(25)15-27-23(26)11-9-18-8-10-20-21(13-18)29-16-28-20/h4-11,13H,3,12,14-16H2,1-2H3/b11-9+