ethyl 3-(6-carbamimidoyl-1-methyl-indol-2-yl)-2-(4-pyrrolidin-3-yloxyphenyl)propanoate

Systemtic Name: ethyl 3-(6-carbamimidoyl-1-methyl-indol-2-yl)-2-(4-pyrrolidin-3-yloxyphenyl)propanoate Openeye Name: ethyl 3-(6-carbamimidoyl-1-methyl-indol-2-yl)-2-(4-pyrrolidin-3-yloxyphenyl)propanoate CAS Name: 3-(6-carbamimidoyl-1-methyl-2-indolyl)-2-[4-(3-pyrrolidinyloxy)phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-(6-carbamimidoyl-1-methylindol-2-yl)-2-(4-pyrrolidin-3-yloxyphenyl)propanoate Traditional Name: 3-(6-amidino-1-methyl-indol-2-yl)-2-(4-pyrrolidin-3-yloxyphenyl)propionic acid ethyl ester Formula: C25H30N4O3 MolecularWeight: 434.5307

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC2=C(N1C)C=C(C=C2)C(=N)N)C3=CC=C(C=C3)OC4CCNC4

Isomeric SMILES

CCOC(=O)C(CC1=CC2=C(N1C)C=C(C=C2)C(=N)N)C3=CC=C(C=C3)OC4CCNC4

InChI

InChI=1S/C25H30N4O3/c1-3-31-25(30)22(16-6-8-20(9-7-16)32-21-10-11-28-15-21)14-19-12-17-4-5-18(24(26)27)13-23(17)29(19)2/h4-9,12-13,21-22,28H,3,10-11,14-15H2,1-2H3,(H3,26,27)