5-[[[2-(naphthalen-2-ylmethylcarbamoyl)phenyl]carbonyl-phenethyl-carbamoyl]amino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[[2-(naphthalen-2-ylmethylcarbamoyl)phenyl]carbonyl-phenethyl-carbamoyl]amino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[[2-(2-naphthylmethylcarbamoyl)benzoyl]-phenethyl-carbamoyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[[[[2-[(2-naphthalenylmethylamino)-oxomethyl]phenyl]-oxomethyl]-phenethylamino]-oxomethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[[2-(naphthalen-2-ylmethylcarbamoyl)benzoyl]-phenethylcarbamoyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[[2-(2-naphthylmethylcarbamoyl)benzoyl]-phenethyl-carbamoyl]amino]isophthalic acid Formula: C36H29N3O7 MolecularWeight: 615.63136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(C(=O)C2=CC=CC=C2C(=O)NCC3=CC4=CC=CC=C4C=C3)C(=O)NC5=CC(=CC(=C5)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCN(C(=O)C2=CC=CC=C2C(=O)NCC3=CC4=CC=CC=C4C=C3)C(=O)NC5=CC(=CC(=C5)C(=O)O)C(=O)O

InChI

InChI=1S/C36H29N3O7/c40-32(37-22-24-14-15-25-10-4-5-11-26(25)18-24)30-12-6-7-13-31(30)33(41)39(17-16-23-8-2-1-3-9-23)36(46)38-29-20-27(34(42)43)19-28(21-29)35(44)45/h1-15,18-21H,16-17,22H2,(H,37,40)(H,38,46)(H,42,43)(H,44,45)