methyl 3-(ethylamino)-5-methyl-1-(phenylmethyl)-4-piperidin-4-yl-indole-2-carboxylate

Systemtic Name: methyl 3-(ethylamino)-5-methyl-1-(phenylmethyl)-4-piperidin-4-yl-indole-2-carboxylate Openeye Name: methyl 1-benzyl-3-(ethylamino)-5-methyl-4-(4-piperidyl)indole-2-carboxylate CAS Name: 3-(ethylamino)-5-methyl-1-(phenylmethyl)-4-(4-piperidinyl)-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-benzyl-3-(ethylamino)-5-methyl-4-piperidin-4-ylindole-2-carboxylate Traditional Name: 1-benzyl-3-(ethylamino)-5-methyl-4-(4-piperidyl)indole-2-carboxylic acid methyl ester Formula: C25H31N3O2 MolecularWeight: 405.53254

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(N(C2=C1C(=C(C=C2)C)C3CCNCC3)CC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CCNC1=C(N(C2=C1C(=C(C=C2)C)C3CCNCC3)CC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C25H31N3O2/c1-4-27-23-22-20(11-10-17(2)21(22)19-12-14-26-15-13-19)28(24(23)25(29)30-3)16-18-8-6-5-7-9-18/h5-11,19,26-27H,4,12-16H2,1-3H3