3-[2,6-di(propan-2-yl)phenyl]-1-(4-heptoxyphenyl)-1-(phenylmethyl)urea

Systemtic Name: 3-[2,6-di(propan-2-yl)phenyl]-1-(4-heptoxyphenyl)-1-(phenylmethyl)urea Openeye Name: 1-benzyl-3-(2,6-diisopropylphenyl)-1-(4-heptoxyphenyl)urea CAS Name: 3-[2,6-di(propan-2-yl)phenyl]-1-(4-heptoxyphenyl)-1-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[2,6-di(propan-2-yl)phenyl]-1-(4-heptoxyphenyl)urea Traditional Name: 1-benzyl-3-(2,6-diisopropylphenyl)-1-(4-heptoxyphenyl)urea Formula: C33H44N2O2 MolecularWeight: 500.71466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)N(CC2=CC=CC=C2)C(=O)NC3=C(C=CC=C3C(C)C)C(C)C

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)N(CC2=CC=CC=C2)C(=O)NC3=C(C=CC=C3C(C)C)C(C)C

InChI

InChI=1S/C33H44N2O2/c1-6-7-8-9-13-23-37-29-21-19-28(20-22-29)35(24-27-15-11-10-12-16-27)33(36)34-32-30(25(2)3)17-14-18-31(32)26(4)5/h10-12,14-22,25-26H,6-9,13,23-24H2,1-5H3,(H,34,36)