5-[(4-methoxyphenyl)carbonylamino]-6-[1-(methylamino)-1-oxidanylidene-hexadecan-3-yl]oxy-6-oxidanylidene-hexanoic acid

Systemtic Name: 5-[(4-methoxyphenyl)carbonylamino]-6-[1-(methylamino)-1-oxidanylidene-hexadecan-3-yl]oxy-6-oxidanylidene-hexanoic acid Openeye Name: 5-[(4-methoxybenzoyl)amino]-6-[1-[2-(methylamino)-2-oxo-ethyl]tetradecoxy]-6-oxo-hexanoic acid CAS Name: 5-[[(4-methoxyphenyl)-oxomethyl]amino]-6-[1-(methylamino)-1-oxohexadecan-3-yl]oxy-6-oxohexanoic acid IUPAC Name: 5-[(4-methoxybenzoyl)amino]-6-[1-(methylamino)-1-oxohexadecan-3-yl]oxy-6-oxohexanoic acid Traditional Name: 6-keto-6-[1-[2-keto-2-(methylamino)ethyl]tetradecoxy]-5-(p-anisoylamino)hexanoic acid Formula: C31H50N2O7 MolecularWeight: 562.7379

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC(=O)NC)OC(=O)C(CCCC(=O)O)NC(=O)C1=CC=C(C=C1)OC

Isomeric SMILES

CCCCCCCCCCCCCC(CC(=O)NC)OC(=O)C(CCCC(=O)O)NC(=O)C1=CC=C(C=C1)OC

InChI

InChI=1S/C31H50N2O7/c1-4-5-6-7-8-9-10-11-12-13-14-16-26(23-28(34)32-2)40-31(38)27(17-15-18-29(35)36)33-30(37)24-19-21-25(39-3)22-20-24/h19-22,26-27H,4-18,23H2,1-3H3,(H,32,34)(H,33,37)(H,35,36)