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

Systemtic Name: [2-oxidanylidene-2-[phenethyl-(phenylmethyl)amino]ethyl] 3-(1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [2-[benzyl(phenethyl)amino]-2-oxo-ethyl] 3-(1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: 3-(1,3-benzodioxol-5-yl)-2-propenoic acid [2-oxo-2-[phenethyl-(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-[benzyl(phenethyl)amino]-2-oxoethyl] 3-(1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: 3-(1,3-benzodioxol-5-yl)acrylic acid [2-[benzyl(phenethyl)amino]-2-keto-ethyl] ester Formula: C27H25NO5 MolecularWeight: 443.4911

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC(=O)OCC(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C=CC(=O)OCC(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H25NO5/c29-26(19-31-27(30)14-12-22-11-13-24-25(17-22)33-20-32-24)28(18-23-9-5-2-6-10-23)16-15-21-7-3-1-4-8-21/h1-14,17H,15-16,18-20H2