3-[[3-nitro-5-(1,2,3,4-tetrahydroisoquinolin-7-ylcarbamoyl)phenyl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 3-[[3-nitro-5-(1,2,3,4-tetrahydroisoquinolin-7-ylcarbamoyl)phenyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 3-[[3-nitro-5-(1,2,3,4-tetrahydroisoquinolin-7-ylcarbamoyl)benzoyl]amino]-3-phenyl-propanoic acid CAS Name: 3-[[[3-nitro-5-[oxo-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)methyl]phenyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[[3-nitro-5-(1,2,3,4-tetrahydroisoquinolin-7-ylcarbamoyl)benzoyl]amino]-3-phenylpropanoic acid Traditional Name: 3-[[3-nitro-5-(1,2,3,4-tetrahydroisoquinolin-7-ylcarbamoyl)benzoyl]amino]-3-phenyl-propionic acid Formula: C26H24N4O6 MolecularWeight: 488.49196

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC2=C1C=CC(=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)NC(CC(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1CNCC2=C1C=CC(=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)NC(CC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C26H24N4O6/c31-24(32)14-23(17-4-2-1-3-5-17)29-26(34)19-10-18(12-22(13-19)30(35)36)25(33)28-21-7-6-16-8-9-27-15-20(16)11-21/h1-7,10-13,23,27H,8-9,14-15H2,(H,28,33)(H,29,34)(H,31,32)