2-[3-(3-dodecoxypropylcarbamoyl)-8-(methoxycarbonylamino)-4-oxidanyl-naphthalen-1-yl]sulfanylethanoic acid

Systemtic Name: 2-[3-(3-dodecoxypropylcarbamoyl)-8-(methoxycarbonylamino)-4-oxidanyl-naphthalen-1-yl]sulfanylethanoic acid Openeye Name: 2-[[3-(3-dodecoxypropylcarbamoyl)-4-hydroxy-8-(methoxycarbonylamino)-1-naphthyl]sulfanyl]acetic acid CAS Name: 2-[[3-[(3-dodecoxypropylamino)-oxomethyl]-4-hydroxy-8-(methoxycarbonylamino)-1-naphthalenyl]thio]acetic acid IUPAC Name: 2-[3-(3-dodecoxypropylcarbamoyl)-4-hydroxy-8-(methoxycarbonylamino)naphthalen-1-yl]sulfanylacetic acid Traditional Name: 2-[[8-(carbomethoxyamino)-4-hydroxy-3-(3-lauryloxypropylcarbamoyl)-1-naphthyl]thio]acetic acid Formula: C30H44N2O7S MolecularWeight: 576.74456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOCCCNC(=O)C1=CC(=C2C(=C1O)C=CC=C2NC(=O)OC)SCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCOCCCNC(=O)C1=CC(=C2C(=C1O)C=CC=C2NC(=O)OC)SCC(=O)O

InChI

InChI=1S/C30H44N2O7S/c1-3-4-5-6-7-8-9-10-11-12-18-39-19-14-17-31-29(36)23-20-25(40-21-26(33)34)27-22(28(23)35)15-13-16-24(27)32-30(37)38-2/h13,15-16,20,35H,3-12,14,17-19,21H2,1-2H3,(H,31,36)(H,32,37)(H,33,34)