1-[2,6-bis(azanyl)hexanoyl]-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: 1-[2,6-bis(azanyl)hexanoyl]-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: 2-benzyloxycarbonyl-1-(2,6-diaminohexanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 1-(2,6-diamino-1-oxohexyl)-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: 1-(2,6-diaminohexanoyl)-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-carbobenzoxy-1-(2,6-diaminohexanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Formula: C24H28N3O5- MolecularWeight: 438.49622

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C(C2=CC=CC=C21)C(=O)C(CCCCN)N)C(=O)OCC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1C(N(C(C2=CC=CC=C21)C(=O)C(CCCCN)N)C(=O)OCC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C24H29N3O5/c25-13-7-6-12-19(26)22(28)21-18-11-5-4-10-17(18)14-20(23(29)30)27(21)24(31)32-15-16-8-2-1-3-9-16/h1-5,8-11,19-21H,6-7,12-15,25-26H2,(H,29,30)/p-1