(phenylmethyl) 1-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-3-methanoyl-7-phenylmethoxy-isoquinoline-4-carboxylate

Systemtic Name: (phenylmethyl) 1-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-3-methanoyl-7-phenylmethoxy-isoquinoline-4-carboxylate Openeye Name: benzyl 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-7-benzyloxy-3-formyl-isoquinoline-4-carboxylate CAS Name: 1-[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]-3-formyl-7-phenylmethoxy-4-isoquinolinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-3-formyl-7-phenylmethoxyisoquinoline-4-carboxylate Traditional Name: 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-7-benzoxy-3-formyl-isoquinoline-4-carboxylic acid benzyl ester Formula: C31H26N4O5 MolecularWeight: 534.56194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=C(N=C3C(=O)C(CC4=CN=CN4)N)C=O)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=C(N=C3C(=O)C(CC4=CN=CN4)N)C=O)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C31H26N4O5/c32-26(13-22-15-33-19-34-22)30(37)29-25-14-23(39-17-20-7-3-1-4-8-20)11-12-24(25)28(27(16-36)35-29)31(38)40-18-21-9-5-2-6-10-21/h1-12,14-16,19,26H,13,17-18,32H2,(H,33,34)