2-[3-[6-(phenoxycarbonylamino)naphthalen-2-yl]propanoylamino]benzoic acid

Systemtic Name: 2-[3-[6-(phenoxycarbonylamino)naphthalen-2-yl]propanoylamino]benzoic acid Openeye Name: 2-[3-[6-(phenoxycarbonylamino)-2-naphthyl]propanoylamino]benzoic acid CAS Name: 2-[[1-oxo-3-[6-[[oxo(phenoxy)methyl]amino]-2-naphthalenyl]propyl]amino]benzoic acid IUPAC Name: 2-[3-[6-(phenoxycarbonylamino)naphthalen-2-yl]propanoylamino]benzoic acid Traditional Name: 2-[3-[6-(carbophenoxyamino)-2-naphthyl]propanoylamino]benzoic acid Formula: C27H22N2O5 MolecularWeight: 454.47398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)NC2=CC3=C(C=C2)C=C(C=C3)CCC(=O)NC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)NC2=CC3=C(C=C2)C=C(C=C3)CCC(=O)NC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C27H22N2O5/c30-25(29-24-9-5-4-8-23(24)26(31)32)15-11-18-10-12-20-17-21(14-13-19(20)16-18)28-27(33)34-22-6-2-1-3-7-22/h1-10,12-14,16-17H,11,15H2,(H,28,33)(H,29,30)(H,31,32)