methyl 3-[bis(1H-pyrrol-2-yl)methyl]-6-tert-butyl-azulene-1-carboxylate

Systemtic Name: methyl 3-[bis(1H-pyrrol-2-yl)methyl]-6-tert-butyl-azulene-1-carboxylate Openeye Name: methyl 3-[bis(1H-pyrrol-2-yl)methyl]-6-tert-butyl-azulene-1-carboxylate CAS Name: 3-[bis(1H-pyrrol-2-yl)methyl]-6-tert-butyl-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-[bis(1H-pyrrol-2-yl)methyl]-6-tert-butylazulene-1-carboxylate Traditional Name: 3-[bis(1H-pyrrol-2-yl)methyl]-6-tert-butyl-azulene-1-carboxylic acid methyl ester Formula: C25H26N2O2 MolecularWeight: 386.48614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C2C(=C(C=C2C(C3=CC=CN3)C4=CC=CN4)C(=O)OC)C=C1

Isomeric SMILES

CC(C)(C)C1=CC=C2C(=C(C=C2C(C3=CC=CN3)C4=CC=CN4)C(=O)OC)C=C1

InChI

InChI=1S/C25H26N2O2/c1-25(2,3)16-9-11-17-18(12-10-16)20(24(28)29-4)15-19(17)23(21-7-5-13-26-21)22-8-6-14-27-22/h5-15,23,26-27H,1-4H3