(3S)-2-[(2-carboxylatophenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (3S)-2-[(2-carboxylatophenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (3S)-2-[(2-carboxylatophenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-[(2-carboxylatoanilino)-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: (3S)-2-[(2-carboxylatophenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-[(2-carboxylatophenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Formula: C18H14N2O5-2 MolecularWeight: 338.31416

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)NC3=CC=CC=C3C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1[C@H](N(CC2=CC=CC=C21)C(=O)NC3=CC=CC=C3C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C18H16N2O5/c21-16(22)13-7-3-4-8-14(13)19-18(25)20-10-12-6-2-1-5-11(12)9-15(20)17(23)24/h1-8,15H,9-10H2,(H,19,25)(H,21,22)(H,23,24)/p-2/t15-/m0/s1