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

Systemtic Name: (3S)-7-[2-(2-tert-butyl-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-tert-butyl-5-methyl-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3S)-7-[2-(2-tert-butyl-5-methyl-4-oxazolyl)ethoxy]-2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3S)-2-benzyl-7-[2-(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3S)-2-benzyl-7-[2-(2-tert-butyl-5-methyl-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C27H32N2O4 MolecularWeight: 448.55398

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H32N2O4/c1-18-23(28-26(33-18)27(2,3)4)12-13-32-22-11-10-20-15-24(25(30)31)29(17-21(20)14-22)16-19-8-6-5-7-9-19/h5-11,14,24H,12-13,15-17H2,1-4H3,(H,30,31)/t24-/m0/s1