1-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-3-(4-methylphenyl)urea

Systemtic Name: 1-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-3-(4-methylphenyl)urea Openeye Name: 1-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-3-(p-tolyl)urea CAS Name: 1-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-3-(4-methylphenyl)urea IUPAC Name: 1-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-3-(4-methylphenyl)urea Traditional Name: 1-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-3-(p-tolyl)urea Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NC(C2=CC3=C(C=C2)OCCCO3)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)N[C@H](C2=CC3=C(C=C2)OCCCO3)C(C)C

InChI

InChI=1S/C21H26N2O3/c1-14(2)20(23-21(24)22-17-8-5-15(3)6-9-17)16-7-10-18-19(13-16)26-12-4-11-25-18/h5-10,13-14,20H,4,11-12H2,1-3H3,(H2,22,23,24)/t20-/m0/s1