4-azanyl-4-azanylidene-2-[4-(1-ethanimidoylpyrrolidin-3-yl)oxyphenyl]butanoic acid

Systemtic Name: 4-azanyl-4-azanylidene-2-[4-(1-ethanimidoylpyrrolidin-3-yl)oxyphenyl]butanoic acid Openeye Name: 4-amino-2-[4-(1-ethanimidoylpyrrolidin-3-yl)oxyphenyl]-4-imino-butanoic acid CAS Name: 4-amino-4-imino-2-[4-[[1-(1-iminoethyl)-3-pyrrolidinyl]oxy]phenyl]butanoic acid IUPAC Name: 4-amino-2-[4-(1-ethanimidoylpyrrolidin-3-yl)oxyphenyl]-4-iminobutanoic acid Traditional Name: 2-[4-(1-acetimidoylpyrrolidin-3-yl)oxyphenyl]-4-amino-4-imino-butyric acid Formula: C16H22N4O3 MolecularWeight: 318.37088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(C1)OC2=CC=C(C=C2)C(CC(=N)N)C(=O)O

Isomeric SMILES

CC(=N)N1CCC(C1)OC2=CC=C(C=C2)C(CC(=N)N)C(=O)O

InChI

InChI=1S/C16H22N4O3/c1-10(17)20-7-6-13(9-20)23-12-4-2-11(3-5-12)14(16(21)22)8-15(18)19/h2-5,13-14,17H,6-9H2,1H3,(H3,18,19)(H,21,22)