[3-(4-chloranylbutanoylamino)-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]carbamic acid

Systemtic Name: [3-(4-chloranylbutanoylamino)-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]carbamic acid Openeye Name: [3-(4-chlorobutanoylamino)-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]carbamic acid CAS Name: [3-[(4-chloro-1-oxobutyl)amino]-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]carbamic acid IUPAC Name: [3-(4-chlorobutanoylamino)-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]carbamic acid Traditional Name: [3-(4-chlorobutanoylamino)-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]carbamic acid Formula: C20H28ClN3O5 MolecularWeight: 425.90642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C3CC(C(CN3CCC2=C1)NC(=O)CCCCl)NC(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C3CC(C(CN3CCC2=C1)NC(=O)CCCCl)NC(=O)O)OC

InChI

InChI=1S/C20H28ClN3O5/c1-28-17-8-12-5-7-24-11-15(22-19(25)4-3-6-21)14(23-20(26)27)10-16(24)13(12)9-18(17)29-2/h8-9,14-16,23H,3-7,10-11H2,1-2H3,(H,22,25)(H,26,27)