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

Systemtic Name: 2-[3-[6-(pentylcarbamoylamino)naphthalen-2-yl]propanoylamino]benzoic acid Openeye Name: 2-[3-[6-(pentylcarbamoylamino)-2-naphthyl]propanoylamino]benzoic acid CAS Name: 2-[[1-oxo-3-[6-[[oxo-(pentylamino)methyl]amino]-2-naphthalenyl]propyl]amino]benzoic acid IUPAC Name: 2-[3-[6-(pentylcarbamoylamino)naphthalen-2-yl]propanoylamino]benzoic acid Traditional Name: 2-[3-[6-(amylcarbamoylamino)-2-naphthyl]propanoylamino]benzoic acid Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)NC1=CC2=C(C=C1)C=C(C=C2)CCC(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCCCNC(=O)NC1=CC2=C(C=C1)C=C(C=C2)CCC(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C26H29N3O4/c1-2-3-6-15-27-26(33)28-21-13-12-19-16-18(9-11-20(19)17-21)10-14-24(30)29-23-8-5-4-7-22(23)25(31)32/h4-5,7-9,11-13,16-17H,2-3,6,10,14-15H2,1H3,(H,29,30)(H,31,32)(H2,27,28,33)