ethyl 2-methyl-5-oxidanyl-1-(phenylmethyl)-4-(piperidin-1-ylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 2-methyl-5-oxidanyl-1-(phenylmethyl)-4-(piperidin-1-ylmethyl)indole-3-carboxylate Openeye Name: ethyl 1-benzyl-5-hydroxy-2-methyl-4-(1-piperidylmethyl)indole-3-carboxylate CAS Name: 5-hydroxy-2-methyl-1-(phenylmethyl)-4-(1-piperidinylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-5-hydroxy-2-methyl-4-(piperidin-1-ylmethyl)indole-3-carboxylate Traditional Name: 1-benzyl-5-hydroxy-2-methyl-4-(piperidinomethyl)indole-3-carboxylic acid ethyl ester Formula: C25H30N2O3 MolecularWeight: 406.5173

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)O)CN3CCCCC3)CC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)O)CN3CCCCC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C25H30N2O3/c1-3-30-25(29)23-18(2)27(16-19-10-6-4-7-11-19)21-12-13-22(28)20(24(21)23)17-26-14-8-5-9-15-26/h4,6-7,10-13,28H,3,5,8-9,14-17H2,1-2H3