[8-(hydroxymethyl)-1,9-dimethoxy-3-methyl-6,7-dihydrocyclopenta[g]isoquinolin-8-yl]methyl benzoate

Systemtic Name: [8-(hydroxymethyl)-1,9-dimethoxy-3-methyl-6,7-dihydrocyclopenta[g]isoquinolin-8-yl]methyl benzoate Openeye Name: [8-(hydroxymethyl)-1,9-dimethoxy-3-methyl-6,7-dihydrocyclopenta[g]isoquinolin-8-yl]methyl benzoate CAS Name: benzoic acid [8-(hydroxymethyl)-1,9-dimethoxy-3-methyl-6,7-dihydrocyclopenta[g]isoquinolin-8-yl]methyl ester IUPAC Name: [8-(hydroxymethyl)-1,9-dimethoxy-3-methyl-6,7-dihydrocyclopenta[g]isoquinolin-8-yl]methyl benzoate Traditional Name: benzoic acid (1,9-dimethoxy-3-methyl-8-methylol-6,7-dihydrocyclopent[g]isoquinolin-8-yl)methyl ester Formula: C24H25NO5 MolecularWeight: 407.459

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC3=C(C(=C2C(=N1)OC)OC)C(CC3)(CO)COC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=CC3=C(C(=C2C(=N1)OC)OC)C(CC3)(CO)COC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H25NO5/c1-15-11-18-12-17-9-10-24(13-26,14-30-23(27)16-7-5-4-6-8-16)20(17)21(28-2)19(18)22(25-15)29-3/h4-8,11-12,26H,9-10,13-14H2,1-3H3