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

Systemtic Name: 2-[(E)-hept-2-enoyl]-3-methyl-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylate Openeye Name: 2-[(E)-hept-2-enoyl]-3-methyl-7-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylate CAS Name: 3-methyl-7-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]-2-[(E)-1-oxohept-2-enyl]-3,4-dihydro-1H-isoquinoline-1-carboxylate IUPAC Name: 2-[(E)-hept-2-enoyl]-3-methyl-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylate Traditional Name: 2-[(E)-hept-2-enoyl]-3-methyl-7-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylate Formula: C30H33N2O5- MolecularWeight: 501.59342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CC(=O)N1C(CC2=C(C1C(=O)[O-])C=C(C=C2)OCCC3=C(OC(=N3)C4=CC=CC=C4)C)C

Isomeric SMILES

CCCC/C=C/C(=O)N1C(CC2=C(C1C(=O)[O-])C=C(C=C2)OCCC3=C(OC(=N3)C4=CC=CC=C4)C)C

InChI

InChI=1S/C30H34N2O5/c1-4-5-6-10-13-27(33)32-20(2)18-23-14-15-24(19-25(23)28(32)30(34)35)36-17-16-26-21(3)37-29(31-26)22-11-8-7-9-12-22/h7-15,19-20,28H,4-6,16-18H2,1-3H3,(H,34,35)/p-1/b13-10+