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

Systemtic Name: ethyl 3-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole-6-carboxylate Openeye Name: ethyl 3-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole-6-carboxylate CAS Name: 3-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole-6-carboxylate Traditional Name: 3-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole-6-carboxylic acid ethyl ester Formula: C26H30N2O2 MolecularWeight: 402.5286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)C(=CN2)CCCCC3CC(=CCN3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)C(=CN2)CCCCC3CC(=CCN3)C4=CC=CC=C4

InChI

InChI=1S/C26H30N2O2/c1-2-30-26(29)21-12-13-24-22(18-28-25(24)17-21)10-6-7-11-23-16-20(14-15-27-23)19-8-4-3-5-9-19/h3-5,8-9,12-14,17-18,23,27-28H,2,6-7,10-11,15-16H2,1H3