methyl 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanoylamino]-6-methoxy-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanoylamino]-6-methoxy-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-6-methoxy-1H-indole-2-carboxylate CAS Name: 3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxoethyl]amino]-6-methoxy-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-6-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-6-methoxy-1H-indole-2-carboxylic acid methyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)CN3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)CN3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H23N3O4/c1-28-16-7-8-17-18(11-16)23-21(22(27)29-2)20(17)24-19(26)13-25-10-9-14-5-3-4-6-15(14)12-25/h3-8,11,23H,9-10,12-13H2,1-2H3,(H,24,26)