3-[[6-[4-(2,4-dimethylphenoxy)butylcarbamoyl]-5-oxidanyl-naphthalen-1-yl]amino]prop-2-ynoic acid

Systemtic Name: 3-[[6-[4-(2,4-dimethylphenoxy)butylcarbamoyl]-5-oxidanyl-naphthalen-1-yl]amino]prop-2-ynoic acid Openeye Name: 3-[[6-[4-(2,4-dimethylphenoxy)butylcarbamoyl]-5-hydroxy-1-naphthyl]amino]prop-2-ynoic acid CAS Name: 3-[[6-[[4-(2,4-dimethylphenoxy)butylamino]-oxomethyl]-5-hydroxy-1-naphthalenyl]amino]-2-propynoic acid IUPAC Name: 3-[[6-[4-(2,4-dimethylphenoxy)butylcarbamoyl]-5-hydroxynaphthalen-1-yl]amino]prop-2-ynoic acid Traditional Name: 3-[[6-[4-(2,4-dimethylphenoxy)butylcarbamoyl]-5-hydroxy-1-naphthyl]amino]propiolic acid Formula: C26H26N2O5 MolecularWeight: 446.49504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCCNC(=O)C2=C(C3=C(C=C2)C(=CC=C3)NC#CC(=O)O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCCNC(=O)C2=C(C3=C(C=C2)C(=CC=C3)NC#CC(=O)O)O)C

InChI

InChI=1S/C26H26N2O5/c1-17-8-11-23(18(2)16-17)33-15-4-3-13-28-26(32)21-10-9-19-20(25(21)31)6-5-7-22(19)27-14-12-24(29)30/h5-11,16,27,31H,3-4,13,15H2,1-2H3,(H,28,32)(H,29,30)