(phenylmethyl) 12-[[6-ethoxy-5-(2-methylprop-2-enoylamino)-6-oxidanylidene-hexyl]amino]-12-oxidanylidene-dodecanoate

Systemtic Name: (phenylmethyl) 12-[[6-ethoxy-5-(2-methylprop-2-enoylamino)-6-oxidanylidene-hexyl]amino]-12-oxidanylidene-dodecanoate Openeye Name: benzyl 12-[[6-ethoxy-5-(2-methylprop-2-enoylamino)-6-oxo-hexyl]amino]-12-oxo-dodecanoate CAS Name: 12-[[6-ethoxy-5-[(2-methyl-1-oxoprop-2-enyl)amino]-6-oxohexyl]amino]-12-oxododecanoic acid (phenylmethyl) ester IUPAC Name: benzyl 12-[[6-ethoxy-5-(2-methylprop-2-enoylamino)-6-oxohexyl]amino]-12-oxododecanoate Traditional Name: 12-[(6-ethoxy-6-keto-5-methacrylamido-hexyl)amino]-12-keto-lauric acid benzyl ester Formula: C31H48N2O6 MolecularWeight: 544.72262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCNC(=O)CCCCCCCCCCC(=O)OCC1=CC=CC=C1)NC(=O)C(=C)C

Isomeric SMILES

CCOC(=O)C(CCCCNC(=O)CCCCCCCCCCC(=O)OCC1=CC=CC=C1)NC(=O)C(=C)C

InChI

InChI=1S/C31H48N2O6/c1-4-38-31(37)27(33-30(36)25(2)3)20-16-17-23-32-28(34)21-14-9-7-5-6-8-10-15-22-29(35)39-24-26-18-12-11-13-19-26/h11-13,18-19,27H,2,4-10,14-17,20-24H2,1,3H3,(H,32,34)(H,33,36)