4-(ethylamino)-6-methoxy-3-methyl-1-(phenylmethyl)-5-piperidin-4-yl-indole-2-carboxylic acid

Systemtic Name: 4-(ethylamino)-6-methoxy-3-methyl-1-(phenylmethyl)-5-piperidin-4-yl-indole-2-carboxylic acid Openeye Name: 1-benzyl-4-(ethylamino)-6-methoxy-3-methyl-5-(4-piperidyl)indole-2-carboxylic acid CAS Name: 4-(ethylamino)-6-methoxy-3-methyl-1-(phenylmethyl)-5-(4-piperidinyl)-2-indolecarboxylic acid IUPAC Name: 1-benzyl-4-(ethylamino)-6-methoxy-3-methyl-5-piperidin-4-ylindole-2-carboxylic acid Traditional Name: 1-benzyl-4-(ethylamino)-6-methoxy-3-methyl-5-(4-piperidyl)indole-2-carboxylic acid Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C2C(=C(N(C2=CC(=C1C3CCNCC3)OC)CC4=CC=CC=C4)C(=O)O)C

Isomeric SMILES

CCNC1=C2C(=C(N(C2=CC(=C1C3CCNCC3)OC)CC4=CC=CC=C4)C(=O)O)C

InChI

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