2-[[(E)-but-2-enoyl]amino]-3-(1-octan-4-ylindol-5-yl)-2-phenoxy-butanoic acid

Systemtic Name: 2-[[(E)-but-2-enoyl]amino]-3-(1-octan-4-ylindol-5-yl)-2-phenoxy-butanoic acid Openeye Name: 2-[[(E)-but-2-enoyl]amino]-2-phenoxy-3-[1-(1-propylpentyl)indol-5-yl]butanoic acid CAS Name: 3-(1-octan-4-yl-5-indolyl)-2-[[(E)-1-oxobut-2-enyl]amino]-2-phenoxybutanoic acid IUPAC Name: 2-[[(E)-but-2-enoyl]amino]-3-(1-octan-4-ylindol-5-yl)-2-phenoxybutanoic acid Traditional Name: 2-[[(E)-but-2-enoyl]amino]-2-phenoxy-3-[1-(1-propylpentyl)indol-5-yl]butyric acid Formula: C30H38N2O4 MolecularWeight: 490.63372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC)N1C=CC2=C1C=CC(=C2)C(C)C(C(=O)O)(NC(=O)C=CC)OC3=CC=CC=C3

Isomeric SMILES

CCCCC(CCC)N1C=CC2=C1C=CC(=C2)C(C)C(C(=O)O)(NC(=O)/C=C/C)OC3=CC=CC=C3

InChI

InChI=1S/C30H38N2O4/c1-5-8-14-25(12-6-2)32-20-19-24-21-23(17-18-27(24)32)22(4)30(29(34)35,31-28(33)13-7-3)36-26-15-10-9-11-16-26/h7,9-11,13,15-22,25H,5-6,8,12,14H2,1-4H3,(H,31,33)(H,34,35)/b13-7+