methyl 5-[(3-cyano-5-methoxy-phenyl)methyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole-4-carboxylate

Systemtic Name: methyl 5-[(3-cyano-5-methoxy-phenyl)methyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole-4-carboxylate Openeye Name: methyl 5-[(3-cyano-5-methoxy-phenyl)methyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole-4-carboxylate CAS Name: 5-[(3-cyano-5-methoxyphenyl)methyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole-4-carboxylic acid methyl ester IUPAC Name: methyl 5-[(3-cyano-5-methoxyphenyl)methyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole-4-carboxylate Traditional Name: 5-(3-cyano-5-methoxy-benzyl)-7,8,9,10-tetrahydro-6H-cyclohept[b]indole-4-carboxylic acid methyl ester Formula: C24H24N2O3 MolecularWeight: 388.45896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CN2C3=C(CCCCC3)C4=C2C(=CC=C4)C(=O)OC)C#N

Isomeric SMILES

COC1=CC(=CC(=C1)CN2C3=C(CCCCC3)C4=C2C(=CC=C4)C(=O)OC)C#N

InChI

InChI=1S/C24H24N2O3/c1-28-18-12-16(14-25)11-17(13-18)15-26-22-10-5-3-4-7-19(22)20-8-6-9-21(23(20)26)24(27)29-2/h6,8-9,11-13H,3-5,7,10,15H2,1-2H3