methyl 3-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole-4-carboxylate

Systemtic Name: methyl 3-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole-4-carboxylate Openeye Name: methyl 3-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole-4-carboxylate CAS Name: 3-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole-4-carboxylic acid methyl ester IUPAC Name: methyl 3-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole-4-carboxylate Traditional Name: 3-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole-4-carboxylic acid methyl ester Formula: C25H28N2O2 MolecularWeight: 388.50202

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(=CC=C1)NC=C2CCCCC3CC(=CCN3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C2C(=CC=C1)NC=C2CCCCC3CC(=CCN3)C4=CC=CC=C4

InChI

InChI=1S/C25H28N2O2/c1-29-25(28)22-12-7-13-23-24(22)20(17-27-23)10-5-6-11-21-16-19(14-15-26-21)18-8-3-2-4-9-18/h2-4,7-9,12-14,17,21,26-27H,5-6,10-11,15-16H2,1H3