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

Systemtic Name: (3S)-2-(1-methylpyrrol-2-yl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (3S)-2-(1-methylpyrrole-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-[(1-methyl-2-pyrrolyl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: (3S)-2-(1-methylpyrrole-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-(1-methylpyrrole-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Formula: C16H15N2O3- MolecularWeight: 283.3019

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-]

Isomeric SMILES

CN1C=CC=C1C(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)[O-]

InChI

InChI=1S/C16H16N2O3/c1-17-8-4-7-13(17)15(19)18-10-12-6-3-2-5-11(12)9-14(18)16(20)21/h2-8,14H,9-10H2,1H3,(H,20,21)/p-1/t14-/m0/s1