methyl 4-azido-2-[[2-butyl-3-[(4-methoxycarbonylphenyl)methyl]imidazol-4-yl]methylamino]benzoate

Systemtic Name: methyl 4-azido-2-[[2-butyl-3-[(4-methoxycarbonylphenyl)methyl]imidazol-4-yl]methylamino]benzoate Openeye Name: methyl 4-azido-2-[[2-butyl-3-[(4-methoxycarbonylphenyl)methyl]imidazol-4-yl]methylamino]benzoate CAS Name: 4-azido-2-[[2-butyl-3-[(4-methoxycarbonylphenyl)methyl]-4-imidazolyl]methylamino]benzoic acid methyl ester IUPAC Name: methyl 4-azido-2-[[2-butyl-3-[(4-methoxycarbonylphenyl)methyl]imidazol-4-yl]methylamino]benzoate Traditional Name: 4-azido-2-[[2-butyl-3-(4-carbomethoxybenzyl)imidazol-4-yl]methylamino]benzoic acid methyl ester Formula: C25H28N6O4 MolecularWeight: 476.52762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)OC)CNC3=C(C=CC(=C3)N=[N+]=[N-])C(=O)OC

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)OC)CNC3=C(C=CC(=C3)N=[N+]=[N-])C(=O)OC

InChI

InChI=1S/C25H28N6O4/c1-4-5-6-23-28-15-20(31(23)16-17-7-9-18(10-8-17)24(32)34-2)14-27-22-13-19(29-30-26)11-12-21(22)25(33)35-3/h7-13,15,27H,4-6,14,16H2,1-3H3