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

Systemtic Name: 4-(ethylamino)-3,6-dimethyl-1-(phenylmethyl)-5-piperidin-4-yl-indole-2-carboxylic acid Openeye Name: 1-benzyl-4-(ethylamino)-3,6-dimethyl-5-(4-piperidyl)indole-2-carboxylic acid CAS Name: 4-(ethylamino)-3,6-dimethyl-1-(phenylmethyl)-5-(4-piperidinyl)-2-indolecarboxylic acid IUPAC Name: 1-benzyl-4-(ethylamino)-3,6-dimethyl-5-piperidin-4-ylindole-2-carboxylic acid Traditional Name: 1-benzyl-4-(ethylamino)-3,6-dimethyl-5-(4-piperidyl)indole-2-carboxylic acid Formula: C25H31N3O2 MolecularWeight: 405.53254

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C(=CC2=C1C(=C(N2CC3=CC=CC=C3)C(=O)O)C)C)C4CCNCC4

Isomeric SMILES

CCNC1=C(C(=CC2=C1C(=C(N2CC3=CC=CC=C3)C(=O)O)C)C)C4CCNCC4

InChI

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