3-[6-carbamimidoyl-1-(2-chloroethyl)indol-2-yl]-2-(4-pyrrolidin-3-yloxyphenyl)propanoic acid

Systemtic Name: 3-[6-carbamimidoyl-1-(2-chloroethyl)indol-2-yl]-2-(4-pyrrolidin-3-yloxyphenyl)propanoic acid Openeye Name: 3-[6-carbamimidoyl-1-(2-chloroethyl)indol-2-yl]-2-(4-pyrrolidin-3-yloxyphenyl)propanoic acid CAS Name: 3-[6-carbamimidoyl-1-(2-chloroethyl)-2-indolyl]-2-[4-(3-pyrrolidinyloxy)phenyl]propanoic acid IUPAC Name: 3-[6-carbamimidoyl-1-(2-chloroethyl)indol-2-yl]-2-(4-pyrrolidin-3-yloxyphenyl)propanoic acid Traditional Name: 3-[6-amidino-1-(2-chloroethyl)indol-2-yl]-2-(4-pyrrolidin-3-yloxyphenyl)propionic acid Formula: C24H27ClN4O3 MolecularWeight: 454.94918

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1OC2=CC=C(C=C2)C(CC3=CC4=C(N3CCCl)C=C(C=C4)C(=N)N)C(=O)O

Isomeric SMILES

C1CNCC1OC2=CC=C(C=C2)C(CC3=CC4=C(N3CCCl)C=C(C=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C24H27ClN4O3/c25-8-10-29-18(11-16-1-2-17(23(26)27)12-22(16)29)13-21(24(30)31)15-3-5-19(6-4-15)32-20-7-9-28-14-20/h1-6,11-12,20-21,28H,7-10,13-14H2,(H3,26,27)(H,30,31)