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

Systemtic Name: 3-[[3-(1,2,3,4-tetrahydroisoquinolin-7-ylcarbamoyl)phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[3-(1,2,3,4-tetrahydroisoquinolin-7-ylcarbamoyl)benzoyl]amino]propanoic acid CAS Name: 3-[[oxo-[3-[oxo-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)methyl]phenyl]methyl]amino]propanoic acid IUPAC Name: 3-[[3-(1,2,3,4-tetrahydroisoquinolin-7-ylcarbamoyl)benzoyl]amino]propanoic acid Traditional Name: 3-[[3-(1,2,3,4-tetrahydroisoquinolin-7-ylcarbamoyl)benzoyl]amino]propionic acid Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC2=C1C=CC(=C2)NC(=O)C3=CC(=CC=C3)C(=O)NCCC(=O)O

Isomeric SMILES

C1CNCC2=C1C=CC(=C2)NC(=O)C3=CC(=CC=C3)C(=O)NCCC(=O)O

InChI

InChI=1S/C20H21N3O4/c24-18(25)7-9-22-19(26)14-2-1-3-15(10-14)20(27)23-17-5-4-13-6-8-21-12-16(13)11-17/h1-5,10-11,21H,6-9,12H2,(H,22,26)(H,23,27)(H,24,25)