2-phenylmethoxycarbonyl-7-[2-(2-phenyl-1,3-thiazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-phenylmethoxycarbonyl-7-[2-(2-phenyl-1,3-thiazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-benzyloxycarbonyl-7-[2-(2-phenylthiazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-phenylmethoxycarbonyl-7-[2-(2-phenyl-4-thiazolyl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-phenylmethoxycarbonyl-7-[2-(2-phenyl-1,3-thiazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-carbobenzoxy-7-[2-(2-phenylthiazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C29H26N2O5S MolecularWeight: 514.59214

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C1C=CC(=C2)OCCC3=CSC(=N3)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1C(N(CC2=C1C=CC(=C2)OCCC3=CSC(=N3)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C29H26N2O5S/c32-28(33)26-16-22-11-12-25(35-14-13-24-19-37-27(30-24)21-9-5-2-6-10-21)15-23(22)17-31(26)29(34)36-18-20-7-3-1-4-8-20/h1-12,15,19,26H,13-14,16-18H2,(H,32,33)