methyl 2-[[2-[[(2S)-2-azanyl-1-piperidin-1-yl-propylidene]amino]phenyl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[2-[[(2S)-2-azanyl-1-piperidin-1-yl-propylidene]amino]phenyl]carbonylamino]benzoate Openeye Name: methyl 2-[[2-[[(2S)-2-amino-1-(1-piperidyl)propylidene]amino]benzoyl]amino]benzoate CAS Name: 2-[[[2-[[(2S)-2-amino-1-(1-piperidinyl)propylidene]amino]phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[[(2S)-2-amino-1-piperidin-1-ylpropylidene]amino]benzoyl]amino]benzoate Traditional Name: 2-[[2-[[(2S)-2-amino-1-piperidino-propylidene]amino]benzoyl]amino]benzoic acid methyl ester Formula: C23H28N4O3 MolecularWeight: 408.49342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=NC1=CC=CC=C1C(=O)NC2=CC=CC=C2C(=O)OC)N3CCCCC3)N

Isomeric SMILES

C[C@@H](C(=NC1=CC=CC=C1C(=O)NC2=CC=CC=C2C(=O)OC)N3CCCCC3)N

InChI

InChI=1S/C23H28N4O3/c1-16(24)21(27-14-8-3-9-15-27)25-19-12-6-4-10-17(19)22(28)26-20-13-7-5-11-18(20)23(29)30-2/h4-7,10-13,16H,3,8-9,14-15,24H2,1-2H3,(H,26,28)/t16-/m0/s1