ethyl 5-oxidanyl-3-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole-6-carboxylate

Systemtic Name: ethyl 5-oxidanyl-3-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole-6-carboxylate Openeye Name: ethyl 5-hydroxy-3-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole-6-carboxylate CAS Name: 5-hydroxy-3-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-3-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole-6-carboxylate Traditional Name: 5-hydroxy-3-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole-6-carboxylic acid ethyl ester Formula: C26H30N2O3 MolecularWeight: 418.528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C2C(=C1)NC=C2CCCCC3CC(=CCN3)C4=CC=CC=C4)O

Isomeric SMILES

CCOC(=O)C1=C(C=C2C(=C1)NC=C2CCCCC3CC(=CCN3)C4=CC=CC=C4)O

InChI

InChI=1S/C26H30N2O3/c1-2-31-26(30)23-15-24-22(16-25(23)29)20(17-28-24)10-6-7-11-21-14-19(12-13-27-21)18-8-4-3-5-9-18/h3-5,8-9,12,15-17,21,27-29H,2,6-7,10-11,13-14H2,1H3