methyl 4-methylsulfanyl-2-[[2-(pyridin-3-ylmethoxy)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methylamino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[[2-(pyridin-3-ylmethoxy)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[2-(3-pyridylmethoxy)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methylamino]butanoate CAS Name: 4-(methylthio)-2-[[2-(3-pyridinylmethoxy)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methylamino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[[2-(pyridin-3-ylmethoxy)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methylamino]butanoate Traditional Name: 4-(methylthio)-2-[[2-(3-pyridylmethoxy)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methylamino]butyric acid methyl ester Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NCC1=CC2=CC3=C(CCC3)C=C2N=C1OCC4=CN=CC=C4

Isomeric SMILES

COC(=O)C(CCSC)NCC1=CC2=CC3=C(CCC3)C=C2N=C1OCC4=CN=CC=C4

InChI

InChI=1S/C25H29N3O3S/c1-30-25(29)22(8-10-32-2)27-15-21-12-20-11-18-6-3-7-19(18)13-23(20)28-24(21)31-16-17-5-4-9-26-14-17/h4-5,9,11-14,22,27H,3,6-8,10,15-16H2,1-2H3