3-[[2-aminocarbonyl-6-(ethylamino)-3-(1H-indol-3-yl)-4-phenyl-5-propyl-phenyl]amino]butanoic acid

Systemtic Name: 3-[[2-aminocarbonyl-6-(ethylamino)-3-(1H-indol-3-yl)-4-phenyl-5-propyl-phenyl]amino]butanoic acid Openeye Name: 3-[2-carbamoyl-6-(ethylamino)-3-(1H-indol-3-yl)-4-phenyl-5-propyl-anilino]butanoic acid CAS Name: 3-[2-carbamoyl-6-(ethylamino)-3-(1H-indol-3-yl)-4-phenyl-5-propylanilino]butanoic acid IUPAC Name: 3-[2-carbamoyl-6-(ethylamino)-3-(1H-indol-3-yl)-4-phenyl-5-propylanilino]butanoic acid Traditional Name: 3-[2-carbamoyl-6-(ethylamino)-3-(1H-indol-3-yl)-4-phenyl-5-propyl-anilino]butyric acid Formula: C30H34N4O3 MolecularWeight: 498.61596

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(C(=C1C2=CC=CC=C2)C3=CNC4=CC=CC=C43)C(=O)N)NC(C)CC(=O)O)NCC

Isomeric SMILES

CCCC1=C(C(=C(C(=C1C2=CC=CC=C2)C3=CNC4=CC=CC=C43)C(=O)N)NC(C)CC(=O)O)NCC

InChI

InChI=1S/C30H34N4O3/c1-4-11-21-25(19-12-7-6-8-13-19)26(22-17-33-23-15-10-9-14-20(22)23)27(30(31)37)29(28(21)32-5-2)34-18(3)16-24(35)36/h6-10,12-15,17-18,32-34H,4-5,11,16H2,1-3H3,(H2,31,37)(H,35,36)