(3S)-2-(4-methylphenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (3S)-2-(4-methylphenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (3S)-2-(4-methylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-[(4-methylphenyl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: (3S)-2-(4-methylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-p-toluoyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Formula: C18H16NO3- MolecularWeight: 294.32454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)[O-]

InChI

InChI=1S/C18H17NO3/c1-12-6-8-13(9-7-12)17(20)19-11-15-5-3-2-4-14(15)10-16(19)18(21)22/h2-9,16H,10-11H2,1H3,(H,21,22)/p-1/t16-/m0/s1