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

Systemtic Name: ethyl 3-(6-carbamimidoyl-1-ethyl-indol-2-yl)-2-(4-pyrrolidin-3-yloxyphenyl)propanoate Openeye Name: ethyl 3-(6-carbamimidoyl-1-ethyl-indol-2-yl)-2-(4-pyrrolidin-3-yloxyphenyl)propanoate CAS Name: 3-(6-carbamimidoyl-1-ethyl-2-indolyl)-2-[4-(3-pyrrolidinyloxy)phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-(6-carbamimidoyl-1-ethylindol-2-yl)-2-(4-pyrrolidin-3-yloxyphenyl)propanoate Traditional Name: 3-(6-amidino-1-ethyl-indol-2-yl)-2-(4-pyrrolidin-3-yloxyphenyl)propionic acid ethyl ester Formula: C26H32N4O3 MolecularWeight: 448.55728

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CC(C3=CC=C(C=C3)OC4CCNC4)C(=O)OCC

Isomeric SMILES

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CC(C3=CC=C(C=C3)OC4CCNC4)C(=O)OCC

InChI

InChI=1S/C26H32N4O3/c1-3-30-20(13-18-5-6-19(25(27)28)14-24(18)30)15-23(26(31)32-4-2)17-7-9-21(10-8-17)33-22-11-12-29-16-22/h5-10,13-14,22-23,29H,3-4,11-12,15-16H2,1-2H3,(H3,27,28)