3-(3-bromophenyl)-1-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)urea

Systemtic Name: 3-(3-bromophenyl)-1-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)urea Openeye Name: 1-[(3-benzyloxy-4-methoxy-phenyl)methyl]-3-(3-bromophenyl)-1-(2-pyrrolidin-1-ylethyl)urea CAS Name: 3-(3-bromophenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-[2-(1-pyrrolidinyl)ethyl]urea IUPAC Name: 3-(3-bromophenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)urea Traditional Name: 1-(3-benzoxy-4-methoxy-benzyl)-3-(3-bromophenyl)-1-(2-pyrrolidinoethyl)urea Formula: C28H32BrN3O3 MolecularWeight: 538.47598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CCN2CCCC2)C(=O)NC3=CC(=CC=C3)Br)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CCN2CCCC2)C(=O)NC3=CC(=CC=C3)Br)OCC4=CC=CC=C4

InChI

InChI=1S/C28H32BrN3O3/c1-34-26-13-12-23(18-27(26)35-21-22-8-3-2-4-9-22)20-32(17-16-31-14-5-6-15-31)28(33)30-25-11-7-10-24(29)19-25/h2-4,7-13,18-19H,5-6,14-17,20-21H2,1H3,(H,30,33)