methyl 3-(ethylamino)-6-methoxy-1-(phenylmethyl)-4-piperidin-4-yl-indole-2-carboxylate

Systemtic Name: methyl 3-(ethylamino)-6-methoxy-1-(phenylmethyl)-4-piperidin-4-yl-indole-2-carboxylate Openeye Name: methyl 1-benzyl-3-(ethylamino)-6-methoxy-4-(4-piperidyl)indole-2-carboxylate CAS Name: 3-(ethylamino)-6-methoxy-1-(phenylmethyl)-4-(4-piperidinyl)-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-benzyl-3-(ethylamino)-6-methoxy-4-piperidin-4-ylindole-2-carboxylate Traditional Name: 1-benzyl-3-(ethylamino)-6-methoxy-4-(4-piperidyl)indole-2-carboxylic acid methyl ester Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O3/c1-4-27-23-22-20(18-10-12-26-13-11-18)14-19(30-2)15-21(22)28(24(23)25(29)31-3)16-17-8-6-5-7-9-17/h5-9,14-15,18,26-27H,4,10-13,16H2,1-3H3