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

Systemtic Name: methyl 5-oxidanyl-3-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O3/c1-30-25(29)22-14-23-21(15-24(22)28)19(16-27-23)9-5-6-10-20-13-18(11-12-26-20)17-7-3-2-4-8-17/h2-4,7-8,11,14-16,20,26-28H,5-6,9-10,12-13H2,1H3