methyl (4Z)-4-[azanyl-[2-(cyclohexylamino)phenyl]methylidene]-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: methyl (4Z)-4-[azanyl-[2-(cyclohexylamino)phenyl]methylidene]-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: methyl (4Z)-4-[amino-[2-(cyclohexylamino)phenyl]methylene]-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: (4Z)-4-[amino-[2-(cyclohexylamino)phenyl]methylidene]-2,5-dimethyl-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4Z)-4-[amino-[2-(cyclohexylamino)phenyl]methylidene]-2,5-dimethylpyrrole-3-carboxylate Traditional Name: (4Z)-4-[amino-[2-(cyclohexylamino)phenyl]methylene]-2,5-dimethyl-pyrrole-3-carboxylic acid methyl ester Formula: C21H27N3O2 MolecularWeight: 353.45798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=CC=CC=C2NC3CCCCC3)N)C(=N1)C)C(=O)OC

Isomeric SMILES

CC1=C(/C(=C(\C2=CC=CC=C2NC3CCCCC3)/N)/C(=N1)C)C(=O)OC

InChI

InChI=1S/C21H27N3O2/c1-13-18(19(14(2)23-13)21(25)26-3)20(22)16-11-7-8-12-17(16)24-15-9-5-4-6-10-15/h7-8,11-12,15,24H,4-6,9-10,22H2,1-3H3/b20-18+