(E)-4-(1-naphthalen-1-ylethylamino)-4-oxidanylidene-2-[4-(phenoxymethyl)phenyl]but-2-enoic acid

Systemtic Name: (E)-4-(1-naphthalen-1-ylethylamino)-4-oxidanylidene-2-[4-(phenoxymethyl)phenyl]but-2-enoic acid Openeye Name: (E)-4-[1-(1-naphthyl)ethylamino]-4-oxo-2-[4-(phenoxymethyl)phenyl]but-2-enoic acid CAS Name: (E)-4-[1-(1-naphthalenyl)ethylamino]-4-oxo-2-[4-(phenoxymethyl)phenyl]-2-butenoic acid IUPAC Name: (E)-4-(1-naphthalen-1-ylethylamino)-4-oxo-2-[4-(phenoxymethyl)phenyl]but-2-enoic acid Traditional Name: (E)-4-keto-4-[1-(1-naphthyl)ethylamino]-2-[4-(phenoxymethyl)phenyl]but-2-enoic acid Formula: C29H25NO4 MolecularWeight: 451.5131

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NC(=O)C=C(C3=CC=C(C=C3)COC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)NC(=O)/C=C(\C3=CC=C(C=C3)COC4=CC=CC=C4)/C(=O)O

InChI

InChI=1S/C29H25NO4/c1-20(25-13-7-9-22-8-5-6-12-26(22)25)30-28(31)18-27(29(32)33)23-16-14-21(15-17-23)19-34-24-10-3-2-4-11-24/h2-18,20H,19H2,1H3,(H,30,31)(H,32,33)/b27-18+