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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C2(CCN(CC2)CC3=CN=CN3CC4=CC=C(C=C4)[N+]#[C-])C(=O)OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)C2(CCN(CC2)CC3=CN=CN3CC4=CC=C(C=C4)[N+]#[C-])C(=O)OC

InChI

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