(E,4S)-4-azanyl-4-methyl-5-[(4-octoxyphenyl)amino]-5-oxidanylidene-pent-2-enoic acid

Systemtic Name: (E,4S)-4-azanyl-4-methyl-5-[(4-octoxyphenyl)amino]-5-oxidanylidene-pent-2-enoic acid Openeye Name: (E,4S)-4-amino-4-methyl-5-(4-octoxyanilino)-5-oxo-pent-2-enoic acid CAS Name: (E,4S)-4-amino-4-methyl-5-(4-octoxyanilino)-5-oxo-2-pentenoic acid IUPAC Name: (E,4S)-4-amino-4-methyl-5-(4-octoxyanilino)-5-oxopent-2-enoic acid Traditional Name: (E,4S)-4-amino-5-keto-4-methyl-5-(4-octoxyanilino)pent-2-enoic acid Formula: C20H30N2O4 MolecularWeight: 362.4632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)NC(=O)C(C)(C=CC(=O)O)N

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)NC(=O)[C@](C)(/C=C/C(=O)O)N

InChI

InChI=1S/C20H30N2O4/c1-3-4-5-6-7-8-15-26-17-11-9-16(10-12-17)22-19(25)20(2,21)14-13-18(23)24/h9-14H,3-8,15,21H2,1-2H3,(H,22,25)(H,23,24)/b14-13+/t20-/m0/s1