3-(6-carbamimidoylnaphthalen-2-yl)-2-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]propanoic acid

Systemtic Name: 3-(6-carbamimidoylnaphthalen-2-yl)-2-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]propanoic acid Openeye Name: 3-(6-carbamimidoyl-2-naphthyl)-2-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]propanoic acid CAS Name: 3-(6-carbamimidoyl-2-naphthalenyl)-2-[4-[[(3S)-3-pyrrolidinyl]oxy]phenyl]propanoic acid IUPAC Name: 3-(6-carbamimidoylnaphthalen-2-yl)-2-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]propanoic acid Traditional Name: 3-(6-amidino-2-naphthyl)-2-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]propionic acid Formula: C24H25N3O3 MolecularWeight: 403.4736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1OC2=CC=C(C=C2)C(CC3=CC4=C(C=C3)C=C(C=C4)C(=N)N)C(=O)O

Isomeric SMILES

C1CNC[C@H]1OC2=CC=C(C=C2)C(CC3=CC4=C(C=C3)C=C(C=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C24H25N3O3/c25-23(26)19-4-3-17-11-15(1-2-18(17)13-19)12-22(24(28)29)16-5-7-20(8-6-16)30-21-9-10-27-14-21/h1-8,11,13,21-22,27H,9-10,12,14H2,(H3,25,26)(H,28,29)/t21-,22?/m0/s1