3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-(1-ethanimidoylpyrrolidin-3-yl)oxyphenyl]propanoate

Systemtic Name: 3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-(1-ethanimidoylpyrrolidin-3-yl)oxyphenyl]propanoate Openeye Name: 3-(7-carbamimidoyl-2-naphthyl)-2-[4-(1-ethanimidoylpyrrolidin-3-yl)oxyphenyl]propanoate CAS Name: 3-(7-carbamimidoyl-2-naphthalenyl)-2-[4-[[1-(1-iminoethyl)-3-pyrrolidinyl]oxy]phenyl]propanoate IUPAC Name: 3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-(1-ethanimidoylpyrrolidin-3-yl)oxyphenyl]propanoate Traditional Name: 2-[4-(1-acetimidoylpyrrolidin-3-yl)oxyphenyl]-3-(7-amidino-2-naphthyl)propionate Formula: C26H27N4O3- MolecularWeight: 443.51758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(C1)OC2=CC=C(C=C2)C(CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C(=O)[O-]

Isomeric SMILES

CC(=N)N1CCC(C1)OC2=CC=C(C=C2)C(CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C(=O)[O-]

InChI

InChI=1S/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-19(7-9-22)24(26(31)32)13-17-2-3-18-4-5-20(25(28)29)14-21(18)12-17/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32)/p-1