5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid

Systemtic Name: 5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid Openeye Name: 5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid CAS Name: 5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]-4-methyl-2-[[(octylamino)-oxomethyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid Traditional Name: 5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-methyl-2-(octylcarbamoylamino)-3-thenoic acid Formula: C27H37N3O6S MolecularWeight: 531.66418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)C)C(=O)O

Isomeric SMILES

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)C)C(=O)O

InChI

InChI=1S/C27H37N3O6S/c1-5-6-7-8-9-10-12-28-27(34)29-24-22(26(32)33)17(2)23(37-24)25(31)30-13-11-18-14-20(35-3)21(36-4)15-19(18)16-30/h14-15H,5-13,16H2,1-4H3,(H,32,33)(H2,28,29,34)