1-aminocarbonyl-2-(phenylmethyl)-7-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 1-aminocarbonyl-2-(phenylmethyl)-7-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-benzyl-1-carbamoyl-7-[2-(2-phenyloxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 1-carbamoyl-2-(phenylmethyl)-7-[2-(2-phenyl-4-oxazolyl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-benzyl-1-carbamoyl-7-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-benzyl-1-carbamoyl-7-[2-(2-phenyloxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C29H27N3O5 MolecularWeight: 497.54178

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C(C2=C1C=CC(=C2)OCCC3=COC(=N3)C4=CC=CC=C4)C(=O)N)CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1C(N(C(C2=C1C=CC(=C2)OCCC3=COC(=N3)C4=CC=CC=C4)C(=O)N)CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C29H27N3O5/c30-27(33)26-24-16-23(36-14-13-22-18-37-28(31-22)20-9-5-2-6-10-20)12-11-21(24)15-25(29(34)35)32(26)17-19-7-3-1-4-8-19/h1-12,16,18,25-26H,13-15,17H2,(H2,30,33)(H,34,35)