(E)-4-oxidanylidene-4-(1-phenylmethoxyhexadecan-2-ylamino)but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-(1-phenylmethoxyhexadecan-2-ylamino)but-2-enoic acid Openeye Name: (E)-4-[1-(benzyloxymethyl)pentadecylamino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-oxo-4-(1-phenylmethoxyhexadecan-2-ylamino)-2-butenoic acid IUPAC Name: (E)-4-oxo-4-(1-phenylmethoxyhexadecan-2-ylamino)but-2-enoic acid Traditional Name: (E)-4-[1-(benzoxymethyl)pentadecylamino]-4-keto-but-2-enoic acid Formula: C27H43NO4 MolecularWeight: 445.63462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(COCC1=CC=CC=C1)NC(=O)C=CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCC(COCC1=CC=CC=C1)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C27H43NO4/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-25(28-26(29)20-21-27(30)31)23-32-22-24-17-14-13-15-18-24/h13-15,17-18,20-21,25H,2-12,16,19,22-23H2,1H3,(H,28,29)(H,30,31)/b21-20+