N,N-dibutyl-4-[(4-dimethylaminophenyl)-(1H-pyrrol-2-yl)methyl]-3-methoxy-aniline

Systemtic Name: N,N-dibutyl-4-[(4-dimethylaminophenyl)-(1H-pyrrol-2-yl)methyl]-3-methoxy-aniline Openeye Name: N,N-dibutyl-4-[(4-dimethylaminophenyl)-(1H-pyrrol-2-yl)methyl]-3-methoxy-aniline CAS Name: N,N-dibutyl-4-[(4-dimethylaminophenyl)-(1H-pyrrol-2-yl)methyl]-3-methoxyaniline IUPAC Name: N,N-dibutyl-4-[(4-dimethylaminophenyl)-(1H-pyrrol-2-yl)methyl]-3-methoxyaniline Traditional Name: dibutyl-[4-[(4-dimethylaminophenyl)-(1H-pyrrol-2-yl)methyl]-3-methoxy-phenyl]amine Formula: C28H39N3O MolecularWeight: 433.62876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=CC(=C(C=C1)C(C2=CC=C(C=C2)N(C)C)C3=CC=CN3)OC

Isomeric SMILES

CCCCN(CCCC)C1=CC(=C(C=C1)C(C2=CC=C(C=C2)N(C)C)C3=CC=CN3)OC

InChI

InChI=1S/C28H39N3O/c1-6-8-19-31(20-9-7-2)24-16-17-25(27(21-24)32-5)28(26-11-10-18-29-26)22-12-14-23(15-13-22)30(3)4/h10-18,21,28-29H,6-9,19-20H2,1-5H3