5-methyl-3,4-dihydro-2H-isoquinolin-1-one; (E)-3-(2-methylphenyl)prop-2-enoic acid

Systemtic Name: 5-methyl-3,4-dihydro-2H-isoquinolin-1-one; (E)-3-(2-methylphenyl)prop-2-enoic acid Openeye Name: 5-methyl-3,4-dihydro-2H-isoquinolin-1-one; (E)-3-(o-tolyl)prop-2-enoic acid CAS Name: 5-methyl-3,4-dihydro-2H-isoquinolin-1-one; (E)-3-(2-methylphenyl)-2-propenoic acid IUPAC Name: 5-methyl-3,4-dihydro-2H-isoquinolin-1-one; (E)-3-(2-methylphenyl)prop-2-enoic acid Traditional Name: 5-methyl-3,4-dihydroisocarbostyril; (E)-3-(o-tolyl)acrylic acid Formula: C20H21NO3 MolecularWeight: 323.38564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=CC(=O)O.CC1=CC=CC2=C1CCNC2=O

Isomeric SMILES

CC1=CC=CC=C1/C=C/C(=O)O.CC1=CC=CC2=C1CCNC2=O

InChI

InChI=1S/C10H11NO.C10H10O2/c1-7-3-2-4-9-8(7)5-6-11-10(9)12;1-8-4-2-3-5-9(8)6-7-10(11)12/h2-4H,5-6H2,1H3,(H,11,12);2-7H,1H3,(H,11,12)/b;7-6+