2-[[4-(diethylamino)-2-methyl-phenyl]-(1-ethyl-2-methyl-indol-3-yl)methyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[[4-(diethylamino)-2-methyl-phenyl]-(1-ethyl-2-methyl-indol-3-yl)methyl]pyridine-3-carboxylic acid Openeye Name: 2-[[4-(diethylamino)-2-methyl-phenyl]-(1-ethyl-2-methyl-indol-3-yl)methyl]pyridine-3-carboxylic acid CAS Name: 2-[[4-(diethylamino)-2-methylphenyl]-(1-ethyl-2-methyl-3-indolyl)methyl]-3-pyridinecarboxylic acid IUPAC Name: 2-[[4-(diethylamino)-2-methylphenyl]-(1-ethyl-2-methylindol-3-yl)methyl]pyridine-3-carboxylic acid Traditional Name: 2-[[4-(diethylamino)-2-methyl-phenyl]-(1-ethyl-2-methyl-indol-3-yl)methyl]nicotinic acid Formula: C29H33N3O2 MolecularWeight: 455.59122

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C2=CC=CC=C21)C(C3=C(C=C(C=C3)N(CC)CC)C)C4=C(C=CC=N4)C(=O)O)C

Isomeric SMILES

CCN1C(=C(C2=CC=CC=C21)C(C3=C(C=C(C=C3)N(CC)CC)C)C4=C(C=CC=N4)C(=O)O)C

InChI

InChI=1S/C29H33N3O2/c1-6-31(7-2)21-15-16-22(19(4)18-21)27(28-24(29(33)34)13-11-17-30-28)26-20(5)32(8-3)25-14-10-9-12-23(25)26/h9-18,27H,6-8H2,1-5H3,(H,33,34)