methyl 1-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]carbonyl-4-[(2-methylphenyl)methyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]carbonyl-4-[(2-methylphenyl)methyl]piperidine-4-carboxylate Openeye Name: methyl 1-[3-[(4-isocyanophenyl)methyl]imidazole-4-carbonyl]-4-(o-tolylmethyl)piperidine-4-carboxylate CAS Name: 1-[[3-[(4-isocyanophenyl)methyl]-4-imidazolyl]-oxomethyl]-4-[(2-methylphenyl)methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-[(4-isocyanophenyl)methyl]imidazole-4-carbonyl]-4-[(2-methylphenyl)methyl]piperidine-4-carboxylate Traditional Name: 1-[3-(4-isocyanobenzyl)imidazole-4-carbonyl]-4-(2-methylbenzyl)isonipecotic acid methyl ester Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC2(CCN(CC2)C(=O)C3=CN=CN3CC4=CC=C(C=C4)[N+]#[C-])C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1CC2(CCN(CC2)C(=O)C3=CN=CN3CC4=CC=C(C=C4)[N+]#[C-])C(=O)OC

InChI

InChI=1S/C27H28N4O3/c1-20-6-4-5-7-22(20)16-27(26(33)34-3)12-14-30(15-13-27)25(32)24-17-29-19-31(24)18-21-8-10-23(28-2)11-9-21/h4-11,17,19H,12-16,18H2,1,3H3