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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=CC=C(C=C2)NC=C3C4=CC=CC=C4NC3=O)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C2=CC=C(C=C2)N/C=C/3\C4=CC=CC=C4NC3=O)C(=O)O

InChI

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