2-[(7-oxidanyl-1,2,3,4-tetrahydroisoquinolin-3-yl)carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(7-oxidanyl-1,2,3,4-tetrahydroisoquinolin-3-yl)carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[(7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carbonyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[[(7-hydroxy-1,2,3,4-tetrahydroisoquinolin-3-yl)-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[(7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carbonyl)amino]-3-phenylpropanoic acid Traditional Name: 2-[(7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carbonyl)amino]-3-phenyl-propionic acid Formula: C19H20N2O4 MolecularWeight: 340.3731

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NCC2=C1C=CC(=C2)O)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1C(NCC2=C1C=CC(=C2)O)C(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C19H20N2O4/c22-15-7-6-13-10-16(20-11-14(13)9-15)18(23)21-17(19(24)25)8-12-4-2-1-3-5-12/h1-7,9,16-17,20,22H,8,10-11H2,(H,21,23)(H,24,25)