3-methyl-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-[(E)-3-phenylprop-2-enoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylate

Systemtic Name: 3-methyl-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-[(E)-3-phenylprop-2-enoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylate Openeye Name: 3-methyl-7-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]-2-[(E)-3-phenylprop-2-enoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylate CAS Name: 3-methyl-7-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]-2-[(E)-1-oxo-3-phenylprop-2-enyl]-3,4-dihydro-1H-isoquinoline-1-carboxylate IUPAC Name: 3-methyl-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-[(E)-3-phenylprop-2-enoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylate Traditional Name: 3-methyl-7-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]-2-[(E)-3-phenylacryloyl]-3,4-dihydro-1H-isoquinoline-1-carboxylate Formula: C32H29N2O5- MolecularWeight: 521.58306

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C=C(C=C2)OCCC3=C(OC(=N3)C4=CC=CC=C4)C)C(N1C(=O)C=CC5=CC=CC=C5)C(=O)[O-]

Isomeric SMILES

CC1CC2=C(C=C(C=C2)OCCC3=C(OC(=N3)C4=CC=CC=C4)C)C(N1C(=O)/C=C/C5=CC=CC=C5)C(=O)[O-]

InChI

InChI=1S/C32H30N2O5/c1-21-19-25-14-15-26(38-18-17-28-22(2)39-31(33-28)24-11-7-4-8-12-24)20-27(25)30(32(36)37)34(21)29(35)16-13-23-9-5-3-6-10-23/h3-16,20-21,30H,17-19H2,1-2H3,(H,36,37)/p-1/b16-13+