2-[2-(2-azanylidenepropyl)-4-[[4-(2-azanylidenepropyl)-2H-pyran-5-yl]oxy]phenyl]-3-(7-carbamimidoylnaphthalen-2-yl)propanoic acid hydrochloride

Systemtic Name: 2-[2-(2-azanylidenepropyl)-4-[[4-(2-azanylidenepropyl)-2H-pyran-5-yl]oxy]phenyl]-3-(7-carbamimidoylnaphthalen-2-yl)propanoic acid hydrochloride Openeye Name: 3-(7-carbamimidoyl-2-naphthyl)-2-[2-(2-iminopropyl)-4-[[4-(2-iminopropyl)-2H-pyran-5-yl]oxy]phenyl]propanoic acid hydrochloride CAS Name: 3-(7-carbamimidoyl-2-naphthalenyl)-2-[2-(2-iminopropyl)-4-[[4-(2-iminopropyl)-2H-pyran-5-yl]oxy]phenyl]propanoic acid hydrochloride IUPAC Name: 3-(7-carbamimidoylnaphthalen-2-yl)-2-[2-(2-iminopropyl)-4-[[4-(2-iminopropyl)-2H-pyran-5-yl]oxy]phenyl]propanoic acid hydrochloride Traditional Name: 3-(7-amidino-2-naphthyl)-2-[2-(2-iminopropyl)-4-[[4-(2-iminopropyl)-2H-pyran-5-yl]oxy]phenyl]propionic acid hydrochloride Formula: C31H33ClN4O4 MolecularWeight: 561.07112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=N)CC1=CCOC=C1OC2=CC(=C(C=C2)C(CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C(=O)O)CC(=N)C.Cl

Isomeric SMILES

CC(=N)CC1=CCOC=C1OC2=CC(=C(C=C2)C(CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C(=O)O)CC(=N)C.Cl

InChI

InChI=1S/C31H32N4O4.ClH/c1-18(32)11-22-9-10-38-17-29(22)39-26-7-8-27(25(16-26)12-19(2)33)28(31(36)37)14-20-3-4-21-5-6-23(30(34)35)15-24(21)13-20;/h3-9,13,15-17,28,32-33H,10-12,14H2,1-2H3,(H3,34,35)(H,36,37);1H