1-(4-methylphenyl)-1-(3-phenoxypropyl)-3,3-bis(3-pyrrolidin-1-ylpropyl)urea

Systemtic Name: 1-(4-methylphenyl)-1-(3-phenoxypropyl)-3,3-bis(3-pyrrolidin-1-ylpropyl)urea Openeye Name: 1-(3-phenoxypropyl)-1-(p-tolyl)-3,3-bis(3-pyrrolidin-1-ylpropyl)urea CAS Name: 1-(4-methylphenyl)-1-(3-phenoxypropyl)-3,3-bis[3-(1-pyrrolidinyl)propyl]urea IUPAC Name: 1-(4-methylphenyl)-1-(3-phenoxypropyl)-3,3-bis(3-pyrrolidin-1-ylpropyl)urea Traditional Name: 1-(3-phenoxypropyl)-1-(p-tolyl)-3,3-bis(3-pyrrolidinopropyl)urea Formula: C31H46N4O2 MolecularWeight: 506.72254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCCOC2=CC=CC=C2)C(=O)N(CCCN3CCCC3)CCCN4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N(CCCOC2=CC=CC=C2)C(=O)N(CCCN3CCCC3)CCCN4CCCC4

InChI

InChI=1S/C31H46N4O2/c1-28-14-16-29(17-15-28)35(26-11-27-37-30-12-3-2-4-13-30)31(36)34(24-9-22-32-18-5-6-19-32)25-10-23-33-20-7-8-21-33/h2-4,12-17H,5-11,18-27H2,1H3