1-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-1,3-bis(phenylmethyl)urea

Systemtic Name: 1-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-1,3-bis(phenylmethyl)urea Openeye Name: 1,3-dibenzyl-1-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]urea CAS Name: 1-[[1-[(3-methoxyphenyl)methyl]-2-pyrrolyl]methyl]-1,3-bis(phenylmethyl)urea IUPAC Name: 1,3-dibenzyl-1-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]urea Traditional Name: 1,3-dibenzyl-1-[(1-m-anisylpyrrol-2-yl)methyl]urea Formula: C28H29N3O2 MolecularWeight: 439.54876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2C=CC=C2CN(CC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)CN2C=CC=C2CN(CC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C28H29N3O2/c1-33-27-16-8-14-25(18-27)21-30-17-9-15-26(30)22-31(20-24-12-6-3-7-13-24)28(32)29-19-23-10-4-2-5-11-23/h2-18H,19-22H2,1H3,(H,29,32)