methyl 2-azanyl-5-[6-(1H-imidazol-5-ylmethylamino)-6-phenyl-cyclohexa-2,4-dien-1-yl]-4,4-dimethyl-5-oxidanylidene-pentanoate

Systemtic Name: methyl 2-azanyl-5-[6-(1H-imidazol-5-ylmethylamino)-6-phenyl-cyclohexa-2,4-dien-1-yl]-4,4-dimethyl-5-oxidanylidene-pentanoate Openeye Name: methyl 2-amino-5-[6-(1H-imidazol-5-ylmethylamino)-6-phenyl-cyclohexa-2,4-dien-1-yl]-4,4-dimethyl-5-oxo-pentanoate CAS Name: 2-amino-5-[6-(1H-imidazol-5-ylmethylamino)-6-phenyl-1-cyclohexa-2,4-dienyl]-4,4-dimethyl-5-oxopentanoic acid methyl ester IUPAC Name: methyl 2-amino-5-[6-(1H-imidazol-5-ylmethylamino)-6-phenylcyclohexa-2,4-dien-1-yl]-4,4-dimethyl-5-oxopentanoate Traditional Name: 2-amino-5-[6-(1H-imidazol-5-ylmethylamino)-6-phenyl-cyclohexa-2,4-dien-1-yl]-5-keto-4,4-dimethyl-valeric acid methyl ester Formula: C24H30N4O3 MolecularWeight: 422.52

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(C(=O)OC)N)C(=O)C1C=CC=CC1(C2=CC=CC=C2)NCC3=CN=CN3

Isomeric SMILES

CC(C)(CC(C(=O)OC)N)C(=O)C1C=CC=CC1(C2=CC=CC=C2)NCC3=CN=CN3

InChI

InChI=1S/C24H30N4O3/c1-23(2,13-20(25)22(30)31-3)21(29)19-11-7-8-12-24(19,17-9-5-4-6-10-17)28-15-18-14-26-16-27-18/h4-12,14,16,19-20,28H,13,15,25H2,1-3H3,(H,26,27)