5-azanyl-N-butyl-9-(3-ethanoyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,7,7-trimethyl-4-oxidanyl-9-oxidanylidene-nonanamide

Systemtic Name: 5-azanyl-N-butyl-9-(3-ethanoyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,7,7-trimethyl-4-oxidanyl-9-oxidanylidene-nonanamide Openeye Name: 9-(3-acetyl-3,4-dihydro-1H-isoquinolin-2-yl)-5-amino-N-butyl-4-hydroxy-2,7,7-trimethyl-9-oxo-nonanamide CAS Name: 9-(3-acetyl-3,4-dihydro-1H-isoquinolin-2-yl)-5-amino-N-butyl-4-hydroxy-2,7,7-trimethyl-9-oxononanamide IUPAC Name: 9-(3-acetyl-3,4-dihydro-1H-isoquinolin-2-yl)-5-amino-N-butyl-4-hydroxy-2,7,7-trimethyl-9-oxononanamide Traditional Name: 9-(3-acetyl-3,4-dihydro-1H-isoquinolin-2-yl)-5-amino-N-butyl-4-hydroxy-9-keto-2,7,7-trimethyl-pelargonamide Formula: C27H43N3O4 MolecularWeight: 473.64802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C)CC(C(CC(C)(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)C)N)O

Isomeric SMILES

CCCCNC(=O)C(C)CC(C(CC(C)(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)C)N)O

InChI

InChI=1S/C27H43N3O4/c1-6-7-12-29-26(34)18(2)13-24(32)22(28)15-27(4,5)16-25(33)30-17-21-11-9-8-10-20(21)14-23(30)19(3)31/h8-11,18,22-24,32H,6-7,12-17,28H2,1-5H3,(H,29,34)