methyl 3-nitro-5-[4-[1-[(4-propan-2-ylphenyl)methyl]imidazol-2-yl]piperidin-1-yl]carbonyl-benzoate

Systemtic Name: methyl 3-nitro-5-[4-[1-[(4-propan-2-ylphenyl)methyl]imidazol-2-yl]piperidin-1-yl]carbonyl-benzoate Openeye Name: methyl 3-[4-[1-[(4-isopropylphenyl)methyl]imidazol-2-yl]piperidine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-nitro-5-[oxo-[4-[1-[(4-propan-2-ylphenyl)methyl]-2-imidazolyl]-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[4-[1-[(4-propan-2-ylphenyl)methyl]imidazol-2-yl]piperidine-1-carbonyl]benzoate Traditional Name: 3-[4-[1-(4-isopropylbenzyl)imidazol-2-yl]piperidine-1-carbonyl]-5-nitro-benzoic acid methyl ester Formula: C27H30N4O5 MolecularWeight: 490.5509

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN2C=CN=C2C3CCN(CC3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN2C=CN=C2C3CCN(CC3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C27H30N4O5/c1-18(2)20-6-4-19(5-7-20)17-30-13-10-28-25(30)21-8-11-29(12-9-21)26(32)22-14-23(27(33)36-3)16-24(15-22)31(34)35/h4-7,10,13-16,18,21H,8-9,11-12,17H2,1-3H3