1-[(2-carboxy-4-phenyl-butyl)-ethyl-carbamoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Systemtic Name: 1-[(2-carboxy-4-phenyl-butyl)-ethyl-carbamoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Openeye Name: 1-[(2-carboxy-4-phenyl-butyl)-ethyl-carbamoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid CAS Name: 1-[[(2-carboxy-4-phenylbutyl)-ethylamino]-oxomethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid IUPAC Name: 1-[(2-carboxy-4-phenylbutyl)-ethylcarbamoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Traditional Name: 1-[(2-carboxy-4-phenyl-butyl)-ethyl-carbamoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Formula: C24H28N2O5 MolecularWeight: 424.48952

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(CCC1=CC=CC=C1)C(=O)O)C(=O)C2C3=CC=CC=C3CC(N2)C(=O)O

Isomeric SMILES

CCN(CC(CCC1=CC=CC=C1)C(=O)O)C(=O)C2C3=CC=CC=C3CC(N2)C(=O)O

InChI

InChI=1S/C24H28N2O5/c1-2-26(15-18(23(28)29)13-12-16-8-4-3-5-9-16)22(27)21-19-11-7-6-10-17(19)14-20(25-21)24(30)31/h3-11,18,20-21,25H,2,12-15H2,1H3,(H,28,29)(H,30,31)