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

Systemtic Name: 1-[2,6-bis(azanyl)hexanoyl]-2-(2-phenylethanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: 1-(2,6-diaminohexanoyl)-2-(2-phenylacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 1-(2,6-diamino-1-oxohexyl)-2-(1-oxo-2-phenylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: 1-(2,6-diaminohexanoyl)-2-(2-phenylacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 1-(2,6-diaminohexanoyl)-2-(2-phenylacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Formula: C24H28N3O4- MolecularWeight: 422.49682

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C(C2=CC=CC=C21)C(=O)C(CCCCN)N)C(=O)CC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1C(N(C(C2=CC=CC=C21)C(=O)C(CCCCN)N)C(=O)CC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C24H29N3O4/c25-13-7-6-12-19(26)23(29)22-18-11-5-4-10-17(18)15-20(24(30)31)27(22)21(28)14-16-8-2-1-3-9-16/h1-5,8-11,19-20,22H,6-7,12-15,25-26H2,(H,30,31)/p-1