2-[4-(1-butanimidoylpiperidin-4-yl)oxyphenyl]-3-(7-carbamimidoylnaphthalen-2-yl)propanoic acid

Systemtic Name: 2-[4-(1-butanimidoylpiperidin-4-yl)oxyphenyl]-3-(7-carbamimidoylnaphthalen-2-yl)propanoic acid Openeye Name: 2-[4-[(1-butanimidoyl-4-piperidyl)oxy]phenyl]-3-(7-carbamimidoyl-2-naphthyl)propanoic acid CAS Name: 3-(7-carbamimidoyl-2-naphthalenyl)-2-[4-[[1-(1-iminobutyl)-4-piperidinyl]oxy]phenyl]propanoic acid IUPAC Name: 2-[4-(1-butanimidoylpiperidin-4-yl)oxyphenyl]-3-(7-carbamimidoylnaphthalen-2-yl)propanoic acid Traditional Name: 3-(7-amidino-2-naphthyl)-2-[4-[(1-butanimidoyl-4-piperidyl)oxy]phenyl]propionic acid Formula: C29H34N4O3 MolecularWeight: 486.60526

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=N)N1CCC(CC1)OC2=CC=C(C=C2)C(CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C(=O)O

Isomeric SMILES

CCCC(=N)N1CCC(CC1)OC2=CC=C(C=C2)C(CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C29H34N4O3/c1-2-3-27(30)33-14-12-25(13-15-33)36-24-10-8-21(9-11-24)26(29(34)35)17-19-4-5-20-6-7-22(28(31)32)18-23(20)16-19/h4-11,16,18,25-26,30H,2-3,12-15,17H2,1H3,(H3,31,32)(H,34,35)