1-[2-methyl-4-[[(E)-(2-oxidanylidene-1H-indol-3-ylidene)methyl]amino]phenyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-methyl-4-[[(E)-(2-oxidanylidene-1H-indol-3-ylidene)methyl]amino]phenyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-methyl-4-[[(E)-(2-oxoindolin-3-ylidene)methyl]amino]phenyl]piperidine-4-carboxylic acid CAS Name: 1-[2-methyl-4-[[(E)-(2-oxo-1H-indol-3-ylidene)methyl]amino]phenyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-methyl-4-[[(E)-(2-oxo-1H-indol-3-ylidene)methyl]amino]phenyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-[[(E)-(2-ketoindolin-3-ylidene)methyl]amino]-2-methyl-phenyl]isonipecotic acid Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC=C2C3=CC=CC=C3NC2=O)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)N/C=C/2\C3=CC=CC=C3NC2=O)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C22H23N3O3/c1-14-12-16(6-7-20(14)25-10-8-15(9-11-25)22(27)28)23-13-18-17-4-2-3-5-19(17)24-21(18)26/h2-7,12-13,15,23H,8-11H2,1H3,(H,24,26)(H,27,28)/b18-13+