methyl 2-[1-[2-(6-chloranyl-1,2-benzoxazol-3-yl)phenyl]but-3-enylamino]-3-methyl-butanoate

Systemtic Name: methyl 2-[1-[2-(6-chloranyl-1,2-benzoxazol-3-yl)phenyl]but-3-enylamino]-3-methyl-butanoate Openeye Name: methyl 2-[1-[2-(6-chloro-1,2-benzoxazol-3-yl)phenyl]but-3-enylamino]-3-methyl-butanoate CAS Name: 2-[1-[2-(6-chloro-1,2-benzoxazol-3-yl)phenyl]but-3-enylamino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[1-[2-(6-chloro-1,2-benzoxazol-3-yl)phenyl]but-3-enylamino]-3-methylbutanoate Traditional Name: 2-[1-[2-(6-chloroindoxazen-3-yl)phenyl]but-3-enylamino]-3-methyl-butyric acid methyl ester Formula: C23H25ClN2O3 MolecularWeight: 412.9092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(CC=C)C1=CC=CC=C1C2=NOC3=C2C=CC(=C3)Cl

Isomeric SMILES

CC(C)C(C(=O)OC)NC(CC=C)C1=CC=CC=C1C2=NOC3=C2C=CC(=C3)Cl

InChI

InChI=1S/C23H25ClN2O3/c1-5-8-19(25-21(14(2)3)23(27)28-4)16-9-6-7-10-17(16)22-18-12-11-15(24)13-20(18)29-26-22/h5-7,9-14,19,21,25H,1,8H2,2-4H3