3,5-bis[[3,5-bis(phenylcarbamoyl)phenyl]carbonylamino]benzoic acid

Systemtic Name: 3,5-bis[[3,5-bis(phenylcarbamoyl)phenyl]carbonylamino]benzoic acid Openeye Name: 3,5-bis[[3,5-bis(phenylcarbamoyl)benzoyl]amino]benzoic acid CAS Name: 3,5-bis[[[3,5-bis[anilino(oxo)methyl]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3,5-bis[[3,5-bis(phenylcarbamoyl)benzoyl]amino]benzoic acid Traditional Name: 3,5-bis[[3,5-bis(phenylcarbamoyl)benzoyl]amino]benzoic acid Formula: C49H36N6O8 MolecularWeight: 836.84554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)C(=O)NC3=CC(=CC(=C3)C(=O)O)NC(=O)C4=CC(=CC(=C4)C(=O)NC5=CC=CC=C5)C(=O)NC6=CC=CC=C6)C(=O)NC7=CC=CC=C7

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)C(=O)NC3=CC(=CC(=C3)C(=O)O)NC(=O)C4=CC(=CC(=C4)C(=O)NC5=CC=CC=C5)C(=O)NC6=CC=CC=C6)C(=O)NC7=CC=CC=C7

InChI

InChI=1S/C49H36N6O8/c56-43(50-37-13-5-1-6-14-37)30-21-31(44(57)51-38-15-7-2-8-16-38)24-34(23-30)47(60)54-41-27-36(49(62)63)28-42(29-41)55-48(61)35-25-32(45(58)52-39-17-9-3-10-18-39)22-33(26-35)46(59)53-40-19-11-4-12-20-40/h1-29H,(H,50,56)(H,51,57)(H,52,58)(H,53,59)(H,54,60)(H,55,61)(H,62,63)