2-[[6-[(2-methoxyphenyl)carbamoyl]-5-oxidanyl-naphthalen-1-yl]-tetradecyl-carbamoyl]sulfanylethanoic acid

Systemtic Name: 2-[[6-[(2-methoxyphenyl)carbamoyl]-5-oxidanyl-naphthalen-1-yl]-tetradecyl-carbamoyl]sulfanylethanoic acid Openeye Name: 2-[[5-hydroxy-6-[(2-methoxyphenyl)carbamoyl]-1-naphthyl]-tetradecyl-carbamoyl]sulfanylacetic acid CAS Name: 2-[[[[5-hydroxy-6-[(2-methoxyanilino)-oxomethyl]-1-naphthalenyl]-tetradecylamino]-oxomethyl]thio]acetic acid IUPAC Name: 2-[[5-hydroxy-6-[(2-methoxyphenyl)carbamoyl]naphthalen-1-yl]-tetradecylcarbamoyl]sulfanylacetic acid Traditional Name: 2-[[[5-hydroxy-6-[(2-methoxyphenyl)carbamoyl]-1-naphthyl]-myristyl-carbamoyl]thio]acetic acid Formula: C35H46N2O6S MolecularWeight: 622.81454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCN(C1=CC=CC2=C1C=CC(=C2O)C(=O)NC3=CC=CC=C3OC)C(=O)SCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCN(C1=CC=CC2=C1C=CC(=C2O)C(=O)NC3=CC=CC=C3OC)C(=O)SCC(=O)O

InChI

InChI=1S/C35H46N2O6S/c1-3-4-5-6-7-8-9-10-11-12-13-16-24-37(35(42)44-25-32(38)39)30-20-17-18-27-26(30)22-23-28(33(27)40)34(41)36-29-19-14-15-21-31(29)43-2/h14-15,17-23,40H,3-13,16,24-25H2,1-2H3,(H,36,41)(H,38,39)