phenylmethoxy-[2-[3-(2-phenylmethoxyethylcarbamoyl)isoquinolin-1-yl]ethyl]carbamic acid

Systemtic Name: phenylmethoxy-[2-[3-(2-phenylmethoxyethylcarbamoyl)isoquinolin-1-yl]ethyl]carbamic acid Openeye Name: benzyloxy-[2-[3-(2-benzyloxyethylcarbamoyl)-1-isoquinolyl]ethyl]carbamic acid CAS Name: 2-[3-[oxo-(2-phenylmethoxyethylamino)methyl]-1-isoquinolinyl]ethyl-phenylmethoxycarbamic acid IUPAC Name: phenylmethoxy-[2-[3-(2-phenylmethoxyethylcarbamoyl)isoquinolin-1-yl]ethyl]carbamic acid Traditional Name: benzoxy-[2-[3-(2-benzoxyethylcarbamoyl)-1-isoquinolyl]ethyl]carbamic acid Formula: C29H29N3O5 MolecularWeight: 499.55766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCNC(=O)C2=CC3=CC=CC=C3C(=N2)CCN(C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COCCNC(=O)C2=CC3=CC=CC=C3C(=N2)CCN(C(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H29N3O5/c33-28(30-16-18-36-20-22-9-3-1-4-10-22)27-19-24-13-7-8-14-25(24)26(31-27)15-17-32(29(34)35)37-21-23-11-5-2-6-12-23/h1-14,19H,15-18,20-21H2,(H,30,33)(H,34,35)