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

Systemtic Name: 2-[(E)-hept-2-enoyl]-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Openeye Name: 2-[(E)-hept-2-enoyl]-7-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid CAS Name: 7-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]-2-[(E)-1-oxohept-2-enyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid IUPAC Name: 2-[(E)-hept-2-enoyl]-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Traditional Name: 2-[(E)-hept-2-enoyl]-7-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Formula: C29H32N2O5 MolecularWeight: 488.57478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CC(=O)N1CCC2=C(C1C(=O)O)C=C(C=C2)OCCC3=C(OC(=N3)C4=CC=CC=C4)C

Isomeric SMILES

CCCC/C=C/C(=O)N1CCC2=C(C1C(=O)O)C=C(C=C2)OCCC3=C(OC(=N3)C4=CC=CC=C4)C

InChI

InChI=1S/C29H32N2O5/c1-3-4-5-9-12-26(32)31-17-15-21-13-14-23(19-24(21)27(31)29(33)34)35-18-16-25-20(2)36-28(30-25)22-10-7-6-8-11-22/h6-14,19,27H,3-5,15-18H2,1-2H3,(H,33,34)/b12-9+