2-(5-acetamido-1H-indol-3-yl)-2-[4-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-(5-acetamido-1H-indol-3-yl)-2-[4-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-(5-acetamido-1H-indol-3-yl)-2-[4-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]piperazin-1-yl]acetic acid CAS Name: 2-(5-acetamido-1H-indol-3-yl)-2-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-piperazinyl]acetic acid IUPAC Name: 2-(5-acetamido-1H-indol-3-yl)-2-[4-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]piperazin-1-yl]acetic acid Traditional Name: 2-(5-acetamido-1H-indol-3-yl)-2-[4-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]piperazino]acetic acid Formula: C25H31N5O4 MolecularWeight: 465.54474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C1OC)C)CN2CCN(CC2)C(C3=CNC4=C3C=C(C=C4)NC(=O)C)C(=O)O

Isomeric SMILES

CC1=CN=C(C(=C1OC)C)CN2CCN(CC2)C(C3=CNC4=C3C=C(C=C4)NC(=O)C)C(=O)O

InChI

InChI=1S/C25H31N5O4/c1-15-12-26-22(16(2)24(15)34-4)14-29-7-9-30(10-8-29)23(25(32)33)20-13-27-21-6-5-18(11-19(20)21)28-17(3)31/h5-6,11-13,23,27H,7-10,14H2,1-4H3,(H,28,31)(H,32,33)