1-[2-(2-azanyl-4-methyl-pentanoyl)-6-(2-oxidanylideneethyl)phenyl]-3-(2-methyl-3-prop-2-enyl-phenyl)urea

Systemtic Name: 1-[2-(2-azanyl-4-methyl-pentanoyl)-6-(2-oxidanylideneethyl)phenyl]-3-(2-methyl-3-prop-2-enyl-phenyl)urea Openeye Name: 1-(3-allyl-2-methyl-phenyl)-3-[2-(2-amino-4-methyl-pentanoyl)-6-(2-oxoethyl)phenyl]urea CAS Name: 1-[2-(2-amino-4-methyl-1-oxopentyl)-6-(2-oxoethyl)phenyl]-3-(2-methyl-3-prop-2-enylphenyl)urea IUPAC Name: 1-[2-(2-amino-4-methylpentanoyl)-6-(2-oxoethyl)phenyl]-3-(2-methyl-3-prop-2-enylphenyl)urea Traditional Name: 1-(3-allyl-2-methyl-phenyl)-3-[2-(2-amino-4-methyl-pentanoyl)-6-(2-ketoethyl)phenyl]urea Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)NC2=C(C=CC=C2CC=O)C(=O)C(CC(C)C)N)CC=C

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)NC2=C(C=CC=C2CC=O)C(=O)C(CC(C)C)N)CC=C

InChI

InChI=1S/C25H31N3O3/c1-5-8-18-9-7-12-22(17(18)4)27-25(31)28-23-19(13-14-29)10-6-11-20(23)24(30)21(26)15-16(2)3/h5-7,9-12,14,16,21H,1,8,13,15,26H2,2-4H3,(H2,27,28,31)