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

Systemtic Name: (3S)-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-prop-2-ynyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3S)-7-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]-2-prop-2-ynyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3S)-7-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]-2-prop-2-ynyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3S)-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-prop-2-ynyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3S)-7-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]-2-propargyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C25H24N2O4 MolecularWeight: 416.46906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=CC4=C(CC(N(C4)CC#C)C(=O)O)C=C3

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=CC4=C(C[C@H](N(C4)CC#C)C(=O)O)C=C3

InChI

InChI=1S/C25H24N2O4/c1-3-12-27-16-20-14-21(10-9-19(20)15-23(27)25(28)29)30-13-11-22-17(2)31-24(26-22)18-7-5-4-6-8-18/h1,4-10,14,23H,11-13,15-16H2,2H3,(H,28,29)/t23-/m0/s1