methyl 2-[[2-[[(2S)-2-azanyl-1-piperidin-1-yl-propylidene]amino]phenyl]carbonylamino]-5-oxidanyl-benzoate

Systemtic Name: methyl 2-[[2-[[(2S)-2-azanyl-1-piperidin-1-yl-propylidene]amino]phenyl]carbonylamino]-5-oxidanyl-benzoate Openeye Name: methyl 2-[[2-[[(2S)-2-amino-1-(1-piperidyl)propylidene]amino]benzoyl]amino]-5-hydroxy-benzoate CAS Name: 2-[[[2-[[(2S)-2-amino-1-(1-piperidinyl)propylidene]amino]phenyl]-oxomethyl]amino]-5-hydroxybenzoic acid methyl ester IUPAC Name: methyl 2-[[2-[[(2S)-2-amino-1-piperidin-1-ylpropylidene]amino]benzoyl]amino]-5-hydroxybenzoate Traditional Name: 2-[[2-[[(2S)-2-amino-1-piperidino-propylidene]amino]benzoyl]amino]-5-hydroxy-benzoic acid methyl ester Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=NC1=CC=CC=C1C(=O)NC2=C(C=C(C=C2)O)C(=O)OC)N3CCCCC3)N

Isomeric SMILES

C[C@@H](C(=NC1=CC=CC=C1C(=O)NC2=C(C=C(C=C2)O)C(=O)OC)N3CCCCC3)N

InChI

InChI=1S/C23H28N4O4/c1-15(24)21(27-12-6-3-7-13-27)25-19-9-5-4-8-17(19)22(29)26-20-11-10-16(28)14-18(20)23(30)31-2/h4-5,8-11,14-15,28H,3,6-7,12-13,24H2,1-2H3,(H,26,29)/t15-/m0/s1