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

Systemtic Name: 4-[2-[[(E)-3-(1-heptan-4-ylindol-5-yl)pent-2-enoyl]amino]phenoxy]butanoic acid Openeye Name: 4-[2-[[(E)-3-[1-(1-propylbutyl)indol-5-yl]pent-2-enoyl]amino]phenoxy]butanoic acid CAS Name: 4-[2-[[(E)-3-(1-heptan-4-yl-5-indolyl)-1-oxopent-2-enyl]amino]phenoxy]butanoic acid IUPAC Name: 4-[2-[[(E)-3-(1-heptan-4-ylindol-5-yl)pent-2-enoyl]amino]phenoxy]butanoic acid Traditional Name: 4-[2-[[(E)-3-[1-(1-propylbutyl)indol-5-yl]pent-2-enoyl]amino]phenoxy]butyric acid Formula: C30H38N2O4 MolecularWeight: 490.63372

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)N1C=CC2=C1C=CC(=C2)C(=CC(=O)NC3=CC=CC=C3OCCCC(=O)O)CC

Isomeric SMILES

CCCC(CCC)N1C=CC2=C1C=CC(=C2)/C(=C/C(=O)NC3=CC=CC=C3OCCCC(=O)O)/CC

InChI

InChI=1S/C30H38N2O4/c1-4-10-25(11-5-2)32-18-17-24-20-23(15-16-27(24)32)22(6-3)21-29(33)31-26-12-7-8-13-28(26)36-19-9-14-30(34)35/h7-8,12-13,15-18,20-21,25H,4-6,9-11,14,19H2,1-3H3,(H,31,33)(H,34,35)/b22-21+