3-(2,4-dimethoxyphenyl)-1-[2-(phenylmethylidene)heptyl]-1-(2-pyrrolidin-1-ylethyl)urea

Systemtic Name: 3-(2,4-dimethoxyphenyl)-1-[2-(phenylmethylidene)heptyl]-1-(2-pyrrolidin-1-ylethyl)urea Openeye Name: 1-(2-benzylideneheptyl)-3-(2,4-dimethoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)urea CAS Name: 3-(2,4-dimethoxyphenyl)-1-[2-(phenylmethylene)heptyl]-1-[2-(1-pyrrolidinyl)ethyl]urea IUPAC Name: 1-(2-benzylideneheptyl)-3-(2,4-dimethoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)urea Traditional Name: 1-(2-amyl-3-phenyl-allyl)-3-(2,4-dimethoxyphenyl)-1-(2-pyrrolidinoethyl)urea Formula: C29H41N3O3 MolecularWeight: 479.65414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=CC1=CC=CC=C1)CN(CCN2CCCC2)C(=O)NC3=C(C=C(C=C3)OC)OC

Isomeric SMILES

CCCCCC(=CC1=CC=CC=C1)CN(CCN2CCCC2)C(=O)NC3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C29H41N3O3/c1-4-5-7-14-25(21-24-12-8-6-9-13-24)23-32(20-19-31-17-10-11-18-31)29(33)30-27-16-15-26(34-2)22-28(27)35-3/h6,8-9,12-13,15-16,21-22H,4-5,7,10-11,14,17-20,23H2,1-3H3,(H,30,33)