3-[3-(3-dodecoxypropylcarbamoyl)-8-methyl-4-oxidanyl-naphthalen-1-yl]sulfanylpropanoic acid

Systemtic Name: 3-[3-(3-dodecoxypropylcarbamoyl)-8-methyl-4-oxidanyl-naphthalen-1-yl]sulfanylpropanoic acid Openeye Name: 3-[[3-(3-dodecoxypropylcarbamoyl)-4-hydroxy-8-methyl-1-naphthyl]sulfanyl]propanoic acid CAS Name: 3-[[3-[(3-dodecoxypropylamino)-oxomethyl]-4-hydroxy-8-methyl-1-naphthalenyl]thio]propanoic acid IUPAC Name: 3-[3-(3-dodecoxypropylcarbamoyl)-4-hydroxy-8-methylnaphthalen-1-yl]sulfanylpropanoic acid Traditional Name: 3-[[4-hydroxy-3-(3-lauryloxypropylcarbamoyl)-8-methyl-1-naphthyl]thio]propionic acid Formula: C30H45NO5S MolecularWeight: 531.747

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOCCCNC(=O)C1=CC(=C2C(=CC=CC2=C1O)C)SCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCOCCCNC(=O)C1=CC(=C2C(=CC=CC2=C1O)C)SCCC(=O)O

InChI

InChI=1S/C30H45NO5S/c1-3-4-5-6-7-8-9-10-11-12-19-36-20-14-18-31-30(35)25-22-26(37-21-17-27(32)33)28-23(2)15-13-16-24(28)29(25)34/h13,15-16,22,34H,3-12,14,17-21H2,1-2H3,(H,31,35)(H,32,33)