methyl (5Z)-2,4-bis[(phenylmethyl)amino]-5-(phenylmethylidene)pyrrole-3-carboxylate

Systemtic Name: methyl (5Z)-2,4-bis[(phenylmethyl)amino]-5-(phenylmethylidene)pyrrole-3-carboxylate Openeye Name: methyl (5Z)-2,4-bis(benzylamino)-5-benzylidene-pyrrole-3-carboxylate CAS Name: (5Z)-2,4-bis[(phenylmethyl)amino]-5-(phenylmethylene)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (5Z)-2,4-bis(benzylamino)-5-benzylidenepyrrole-3-carboxylate Traditional Name: (5Z)-5-benzal-2,4-bis(benzylamino)pyrrole-3-carboxylic acid methyl ester Formula: C27H25N3O2 MolecularWeight: 423.5063

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC2=CC=CC=C2)N=C1NCC3=CC=CC=C3)NCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(/C(=C/C2=CC=CC=C2)/N=C1NCC3=CC=CC=C3)NCC4=CC=CC=C4

InChI

InChI=1S/C27H25N3O2/c1-32-27(31)24-25(28-18-21-13-7-3-8-14-21)23(17-20-11-5-2-6-12-20)30-26(24)29-19-22-15-9-4-10-16-22/h2-17,28H,18-19H2,1H3,(H,29,30)/b23-17-