methyl 2-[1-[2-(1,2-benzoxazol-3-yl)phenyl]but-3-enylamino]-3-methyl-butanoate

Systemtic Name: methyl 2-[1-[2-(1,2-benzoxazol-3-yl)phenyl]but-3-enylamino]-3-methyl-butanoate Openeye Name: methyl 2-[1-[2-(1,2-benzoxazol-3-yl)phenyl]but-3-enylamino]-3-methyl-butanoate CAS Name: 2-[1-[2-(1,2-benzoxazol-3-yl)phenyl]but-3-enylamino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[1-[2-(1,2-benzoxazol-3-yl)phenyl]but-3-enylamino]-3-methylbutanoate Traditional Name: 2-[1-(2-indoxazen-3-ylphenyl)but-3-enylamino]-3-methyl-butyric acid methyl ester Formula: C23H26N2O3 MolecularWeight: 378.46414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(CC=C)C1=CC=CC=C1C2=NOC3=CC=CC=C32

Isomeric SMILES

CC(C)C(C(=O)OC)NC(CC=C)C1=CC=CC=C1C2=NOC3=CC=CC=C32

InChI

InChI=1S/C23H26N2O3/c1-5-10-19(24-21(15(2)3)23(26)27-4)16-11-6-7-12-17(16)22-18-13-8-9-14-20(18)28-25-22/h5-9,11-15,19,21,24H,1,10H2,2-4H3