(E)-4-methoxy-4-oxidanylidene-but-2-enoate; 3-[1-(phenylmethyl)-3,6-dihydro-2H-pyridin-5-yl]phenol

Systemtic Name: (E)-4-methoxy-4-oxidanylidene-but-2-enoate; 3-[1-(phenylmethyl)-3,6-dihydro-2H-pyridin-5-yl]phenol Openeye Name: 3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)phenol; (E)-4-methoxy-4-oxo-but-2-enoate CAS Name: (E)-4-methoxy-4-oxo-2-butenoate; 3-[1-(phenylmethyl)-3,6-dihydro-2H-pyridin-5-yl]phenol IUPAC Name: 3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)phenol; (E)-4-methoxy-4-oxobut-2-enoate Traditional Name: 3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)phenol; (E)-4-keto-4-methoxy-but-2-enoate Formula: C23H24NO5- MolecularWeight: 394.44036

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC(=O)[O-].C1CN(CC(=C1)C2=CC(=CC=C2)O)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)/C=C/C(=O)[O-].C1CN(CC(=C1)C2=CC(=CC=C2)O)CC3=CC=CC=C3

InChI

InChI=1S/C18H19NO.C5H6O4/c20-18-10-4-8-16(12-18)17-9-5-11-19(14-17)13-15-6-2-1-3-7-15;1-9-5(8)3-2-4(6)7/h1-4,6-10,12,20H,5,11,13-14H2;2-3H,1H3,(H,6,7)/p-1/b;3-2+