(E)-3-[4-[(2S)-2-methyl-2,3-dihydroindol-1-yl]phenyl]prop-2-enoate

Systemtic Name: (E)-3-[4-[(2S)-2-methyl-2,3-dihydroindol-1-yl]phenyl]prop-2-enoate Openeye Name: (E)-3-[4-[(2S)-2-methylindolin-1-yl]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[(2S)-2-methyl-2,3-dihydroindol-1-yl]phenyl]-2-propenoate IUPAC Name: (E)-3-[4-[(2S)-2-methyl-2,3-dihydroindol-1-yl]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[(2S)-2-methylindolin-1-yl]phenyl]acrylate Formula: C18H16NO2- MolecularWeight: 278.32514

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C3=CC=C(C=C3)C=CC(=O)[O-]

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C3=CC=C(C=C3)/C=C/C(=O)[O-]

InChI

InChI=1S/C18H17NO2/c1-13-12-15-4-2-3-5-17(15)19(13)16-9-6-14(7-10-16)8-11-18(20)21/h2-11,13H,12H2,1H3,(H,20,21)/p-1/b11-8+/t13-/m0/s1