methyl 3-[[5-iodanyl-2-[(2-methylnaphthalen-1-yl)amino]phenyl]carbonylamino]butanoate

Systemtic Name: methyl 3-[[5-iodanyl-2-[(2-methylnaphthalen-1-yl)amino]phenyl]carbonylamino]butanoate Openeye Name: methyl 3-[[5-iodo-2-[(2-methyl-1-naphthyl)amino]benzoyl]amino]butanoate CAS Name: 3-[[[5-iodo-2-[(2-methyl-1-naphthalenyl)amino]phenyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 3-[[5-iodo-2-[(2-methylnaphthalen-1-yl)amino]benzoyl]amino]butanoate Traditional Name: 3-[[5-iodo-2-[(2-methyl-1-naphthyl)amino]benzoyl]amino]butyric acid methyl ester Formula: C23H23IN2O3 MolecularWeight: 502.34479

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C=C1)NC3=C(C=C(C=C3)I)C(=O)NC(C)CC(=O)OC

Isomeric SMILES

CC1=C(C2=CC=CC=C2C=C1)NC3=C(C=C(C=C3)I)C(=O)NC(C)CC(=O)OC

InChI

InChI=1S/C23H23IN2O3/c1-14-8-9-16-6-4-5-7-18(16)22(14)26-20-11-10-17(24)13-19(20)23(28)25-15(2)12-21(27)29-3/h4-11,13,15,26H,12H2,1-3H3,(H,25,28)