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

Systemtic Name: (3S)-7-[2-[2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3S)-2-benzyl-7-[2-[2-(2,2-dimethylpropyl)-5-methyl-oxazol-4-yl]ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3S)-7-[2-[2-(2,2-dimethylpropyl)-5-methyl-4-oxazolyl]ethoxy]-2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3S)-2-benzyl-7-[2-[2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3S)-2-benzyl-7-[2-(5-methyl-2-neopentyl-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C28H34N2O4 MolecularWeight: 462.58056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)CC(C)(C)C)CCOC2=CC3=C(CC(N(C3)CC4=CC=CC=C4)C(=O)O)C=C2

Isomeric SMILES

CC1=C(N=C(O1)CC(C)(C)C)CCOC2=CC3=C(C[C@H](N(C3)CC4=CC=CC=C4)C(=O)O)C=C2

InChI

InChI=1S/C28H34N2O4/c1-19-24(29-26(34-19)16-28(2,3)4)12-13-33-23-11-10-21-15-25(27(31)32)30(18-22(21)14-23)17-20-8-6-5-7-9-20/h5-11,14,25H,12-13,15-18H2,1-4H3,(H,31,32)/t25-/m0/s1