3-[(2-oxidanyl-3-phenyl-propyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid

Systemtic Name: 3-[(2-oxidanyl-3-phenyl-propyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Openeye Name: 3-[(2-hydroxy-3-phenyl-propyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid CAS Name: 3-[[(2-hydroxy-3-phenylpropyl)amino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid IUPAC Name: 3-[(2-hydroxy-3-phenylpropyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Traditional Name: 3-[(2-hydroxy-3-phenyl-propyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)O)C(=O)NCC(CC3=CC=CC=C3)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)O)C(=O)NCC(CC3=CC=CC=C3)O

InChI

InChI=1S/C20H22N2O4/c23-17(10-14-6-2-1-3-7-14)12-21-19(24)18-11-15-8-4-5-9-16(15)13-22(18)20(25)26/h1-9,17-18,23H,10-13H2,(H,21,24)(H,25,26)