methyl 4-(3-azanyl-4-oxidanylidene-4-phenylazanyl-butoxy)benzoate

Systemtic Name: methyl 4-(3-azanyl-4-oxidanylidene-4-phenylazanyl-butoxy)benzoate Openeye Name: methyl 4-(3-amino-4-anilino-4-oxo-butoxy)benzoate CAS Name: 4-(3-amino-4-anilino-4-oxobutoxy)benzoic acid methyl ester IUPAC Name: methyl 4-(3-amino-4-anilino-4-oxobutoxy)benzoate Traditional Name: 4-(3-amino-4-anilino-4-keto-butoxy)benzoic acid methyl ester Formula: C18H20N2O4 MolecularWeight: 328.3624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCCC(C(=O)NC2=CC=CC=C2)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OCCC(C(=O)NC2=CC=CC=C2)N

InChI

InChI=1S/C18H20N2O4/c1-23-18(22)13-7-9-15(10-8-13)24-12-11-16(19)17(21)20-14-5-3-2-4-6-14/h2-10,16H,11-12,19H2,1H3,(H,20,21)