methyl 2-[2-(5-methoxy-1H-indol-3-yl)ethanoyl]-3,4-dihydro-1H-isoquinoline-7-carboxylate

Systemtic Name: methyl 2-[2-(5-methoxy-1H-indol-3-yl)ethanoyl]-3,4-dihydro-1H-isoquinoline-7-carboxylate Openeye Name: methyl 2-[2-(5-methoxy-1H-indol-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-7-carboxylate CAS Name: 2-[2-(5-methoxy-1H-indol-3-yl)-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(5-methoxy-1H-indol-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-7-carboxylate Traditional Name: 2-[2-(5-methoxy-1H-indol-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid methyl ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2CC(=O)N3CCC4=C(C3)C=C(C=C4)C(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2CC(=O)N3CCC4=C(C3)C=C(C=C4)C(=O)OC

InChI

InChI=1S/C22H22N2O4/c1-27-18-5-6-20-19(11-18)16(12-23-20)10-21(25)24-8-7-14-3-4-15(22(26)28-2)9-17(14)13-24/h3-6,9,11-12,23H,7-8,10,13H2,1-2H3