[2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [2-[benzyl(isopropyl)amino]-2-oxo-ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-propenoic acid [2-oxo-2-[(phenylmethyl)-propan-2-ylamino]ethyl] ester IUPAC Name: [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)acrylic acid [2-[benzyl(isopropyl)amino]-2-keto-ethyl] ester Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO5/c1-16(2)23(13-18-6-4-3-5-7-18)21(24)14-26-22(25)11-9-17-8-10-19-20(12-17)28-15-27-19/h3-12,16H,13-15H2,1-2H3/b11-9+