methyl 4-(cyclopropylmethyl)-1-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]piperidine-4-carboxylate

Systemtic Name: methyl 4-(cyclopropylmethyl)-1-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]piperidine-4-carboxylate Openeye Name: methyl 4-(cyclopropylmethyl)-1-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]piperidine-4-carboxylate CAS Name: 4-(cyclopropylmethyl)-1-[[3-[(4-isocyanophenyl)methyl]-4-imidazolyl]methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-(cyclopropylmethyl)-1-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]piperidine-4-carboxylate Traditional Name: 4-(cyclopropylmethyl)-1-[[3-(4-isocyanobenzyl)imidazol-4-yl]methyl]isonipecotic acid methyl ester Formula: C23H28N4O2 MolecularWeight: 392.49402

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCN(CC1)CC2=CN=CN2CC3=CC=C(C=C3)[N+]#[C-])CC4CC4

Isomeric SMILES

COC(=O)C1(CCN(CC1)CC2=CN=CN2CC3=CC=C(C=C3)[N+]#[C-])CC4CC4

InChI

InChI=1S/C23H28N4O2/c1-24-20-7-5-19(6-8-20)15-27-17-25-14-21(27)16-26-11-9-23(10-12-26,22(28)29-2)13-18-3-4-18/h5-8,14,17-18H,3-4,9-13,15-16H2,2H3