tert-butyl N-[4-[bis[5-(dimethylaminomethyl)-1H-pyrrol-2-yl]methyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[4-[bis[5-(dimethylaminomethyl)-1H-pyrrol-2-yl]methyl]phenyl]carbamate Openeye Name: tert-butyl N-[4-[bis[5-(dimethylaminomethyl)-1H-pyrrol-2-yl]methyl]phenyl]carbamate CAS Name: N-[4-[bis[5-(dimethylaminomethyl)-1H-pyrrol-2-yl]methyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[bis[5-(dimethylaminomethyl)-1H-pyrrol-2-yl]methyl]phenyl]carbamate Traditional Name: N-[4-[bis[5-(dimethylaminomethyl)-1H-pyrrol-2-yl]methyl]phenyl]carbamic acid tert-butyl ester Formula: C26H37N5O2 MolecularWeight: 451.60428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(C2=CC=C(N2)CN(C)C)C3=CC=C(N3)CN(C)C

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(C2=CC=C(N2)CN(C)C)C3=CC=C(N3)CN(C)C

InChI

InChI=1S/C26H37N5O2/c1-26(2,3)33-25(32)29-19-10-8-18(9-11-19)24(22-14-12-20(27-22)16-30(4)5)23-15-13-21(28-23)17-31(6)7/h8-15,24,27-28H,16-17H2,1-7H3,(H,29,32)