4-[(3S)-3-[(3,4-dimethylphenyl)amino]piperidin-1-yl]carbonylbenzaldehyde

Systemtic Name: 4-[(3S)-3-[(3,4-dimethylphenyl)amino]piperidin-1-yl]carbonylbenzaldehyde Openeye Name: 4-[(3S)-3-(3,4-dimethylanilino)piperidine-1-carbonyl]benzaldehyde CAS Name: 4-[[(3S)-3-(3,4-dimethylanilino)-1-piperidinyl]-oxomethyl]benzaldehyde IUPAC Name: 4-[(3S)-3-(3,4-dimethylanilino)piperidine-1-carbonyl]benzaldehyde Traditional Name: 4-[(3S)-3-(3,4-dimethylanilino)piperidine-1-carbonyl]benzaldehyde Formula: C21H24N2O2 MolecularWeight: 336.42746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2CCCN(C2)C(=O)C3=CC=C(C=C3)C=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)N[C@H]2CCCN(C2)C(=O)C3=CC=C(C=C3)C=O)C

InChI

InChI=1S/C21H24N2O2/c1-15-5-10-19(12-16(15)2)22-20-4-3-11-23(13-20)21(25)18-8-6-17(14-24)7-9-18/h5-10,12,14,20,22H,3-4,11,13H2,1-2H3/t20-/m0/s1