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

Systemtic Name: 1-[4-[[(E)-(2-oxidanylidene-1H-indol-3-ylidene)methyl]amino]phenyl]piperidine-4-carboxylic acid Openeye Name: 1-[4-[[(E)-(2-oxoindolin-3-ylidene)methyl]amino]phenyl]piperidine-4-carboxylic acid CAS Name: 1-[4-[[(E)-(2-oxo-1H-indol-3-ylidene)methyl]amino]phenyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[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]phenyl]isonipecotic acid Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=CC=C(C=C2)NC=C3C4=CC=CC=C4NC3=O

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=CC=C(C=C2)N/C=C/3\C4=CC=CC=C4NC3=O

InChI

InChI=1S/C21H21N3O3/c25-20-18(17-3-1-2-4-19(17)23-20)13-22-15-5-7-16(8-6-15)24-11-9-14(10-12-24)21(26)27/h1-8,13-14,22H,9-12H2,(H,23,25)(H,26,27)/b18-13+