methyl 2-azanyl-3-[4-[(4-isocyano-4-phenyl-piperidin-1-yl)carbonylamino]phenyl]propanoate

Systemtic Name: methyl 2-azanyl-3-[4-[(4-isocyano-4-phenyl-piperidin-1-yl)carbonylamino]phenyl]propanoate Openeye Name: methyl 2-amino-3-[4-[(4-isocyano-4-phenyl-piperidine-1-carbonyl)amino]phenyl]propanoate CAS Name: 2-amino-3-[4-[[(4-isocyano-4-phenyl-1-piperidinyl)-oxomethyl]amino]phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-amino-3-[4-[(4-isocyano-4-phenylpiperidine-1-carbonyl)amino]phenyl]propanoate Traditional Name: 2-amino-3-[4-[(4-isocyano-4-phenyl-piperidine-1-carbonyl)amino]phenyl]propionic acid methyl ester Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)NC(=O)N2CCC(CC2)(C3=CC=CC=C3)[N+]#[C-])N

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)NC(=O)N2CCC(CC2)(C3=CC=CC=C3)[N+]#[C-])N

InChI

InChI=1S/C23H26N4O3/c1-25-23(18-6-4-3-5-7-18)12-14-27(15-13-23)22(29)26-19-10-8-17(9-11-19)16-20(24)21(28)30-2/h3-11,20H,12-16,24H2,2H3,(H,26,29)