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

Systemtic Name: (3S)-3-ethyl-2-methyl-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Openeye Name: (3S)-3-ethyl-2-methyl-7-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid CAS Name: (3S)-3-ethyl-2-methyl-7-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid IUPAC Name: (3S)-3-ethyl-2-methyl-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Traditional Name: (3S)-3-ethyl-2-methyl-7-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Formula: C25H28N2O4 MolecularWeight: 420.50082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CC2=C(C=C(C=C2)OCCC3=C(OC(=N3)C4=CC=CC=C4)C)C(N1C)C(=O)O

Isomeric SMILES

CC[C@H]1CC2=C(C=C(C=C2)OCCC3=C(OC(=N3)C4=CC=CC=C4)C)C(N1C)C(=O)O

InChI

InChI=1S/C25H28N2O4/c1-4-19-14-18-10-11-20(15-21(18)23(25(28)29)27(19)3)30-13-12-22-16(2)31-24(26-22)17-8-6-5-7-9-17/h5-11,15,19,23H,4,12-14H2,1-3H3,(H,28,29)/t19-,23?/m0/s1