(E)-3-(4,4-dimethylcyclohexen-1-yl)-2-(phenylmethoxycarbonylamino)prop-2-enoic acid

Systemtic Name: (E)-3-(4,4-dimethylcyclohexen-1-yl)-2-(phenylmethoxycarbonylamino)prop-2-enoic acid Openeye Name: (E)-2-(benzyloxycarbonylamino)-3-(4,4-dimethylcyclohexen-1-yl)prop-2-enoic acid CAS Name: (E)-3-(4,4-dimethyl-1-cyclohexenyl)-2-(phenylmethoxycarbonylamino)-2-propenoic acid IUPAC Name: (E)-3-(4,4-dimethylcyclohexen-1-yl)-2-(phenylmethoxycarbonylamino)prop-2-enoic acid Traditional Name: (E)-2-(benzyloxycarbonylamino)-3-(4,4-dimethylcyclohexen-1-yl)acrylic acid Formula: C19H23NO4 MolecularWeight: 329.39022

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=CC1)C=C(C(=O)O)NC(=O)OCC2=CC=CC=C2)C

Isomeric SMILES

CC1(CCC(=CC1)/C=C(\C(=O)O)/NC(=O)OCC2=CC=CC=C2)C

InChI

InChI=1S/C19H23NO4/c1-19(2)10-8-14(9-11-19)12-16(17(21)22)20-18(23)24-13-15-6-4-3-5-7-15/h3-8,12H,9-11,13H2,1-2H3,(H,20,23)(H,21,22)/b16-12+