(E)-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(diphenylmethyl)-4-oxidanyl-but-3-en-2-one

Systemtic Name: (E)-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(diphenylmethyl)-4-oxidanyl-but-3-en-2-one Openeye Name: (E)-3-benzhydryl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-but-3-en-2-one CAS Name: (E)-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(diphenylmethyl)-4-hydroxy-3-buten-2-one IUPAC Name: (E)-3-benzhydryl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxybut-3-en-2-one Traditional Name: (E)-3-benzhydryl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-but-3-en-2-one Formula: C28H29NO4 MolecularWeight: 443.53416

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(N1CCC2=CC(=C(C=C2C1)OC)OC)O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)/C(=C(\N1CCC2=CC(=C(C=C2C1)OC)OC)/O)/C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H29NO4/c1-19(30)26(27(20-10-6-4-7-11-20)21-12-8-5-9-13-21)28(31)29-15-14-22-16-24(32-2)25(33-3)17-23(22)18-29/h4-13,16-17,27,31H,14-15,18H2,1-3H3/b28-26-