2-[[(E)-but-2-enoyl]amino]-3-[1-(6-methylheptan-2-yl)indol-5-yl]-2-phenoxy-butanoic acid

Systemtic Name: 2-[[(E)-but-2-enoyl]amino]-3-[1-(6-methylheptan-2-yl)indol-5-yl]-2-phenoxy-butanoic acid Openeye Name: 2-[[(E)-but-2-enoyl]amino]-3-[1-(1,5-dimethylhexyl)indol-5-yl]-2-phenoxy-butanoic acid CAS Name: 3-[1-(6-methylheptan-2-yl)-5-indolyl]-2-[[(E)-1-oxobut-2-enyl]amino]-2-phenoxybutanoic acid IUPAC Name: 2-[[(E)-but-2-enoyl]amino]-3-[1-(6-methylheptan-2-yl)indol-5-yl]-2-phenoxybutanoic acid Traditional Name: 2-[[(E)-but-2-enoyl]amino]-3-[1-(1,5-dimethylhexyl)indol-5-yl]-2-phenoxy-butyric acid Formula: C30H38N2O4 MolecularWeight: 490.63372

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)NC(C(C)C1=CC2=C(C=C1)N(C=C2)C(C)CCCC(C)C)(C(=O)O)OC3=CC=CC=C3

Isomeric SMILES

C/C=C/C(=O)NC(C(C)C1=CC2=C(C=C1)N(C=C2)C(C)CCCC(C)C)(C(=O)O)OC3=CC=CC=C3

InChI

InChI=1S/C30H38N2O4/c1-6-11-28(33)31-30(29(34)35,36-26-14-8-7-9-15-26)23(5)24-16-17-27-25(20-24)18-19-32(27)22(4)13-10-12-21(2)3/h6-9,11,14-23H,10,12-13H2,1-5H3,(H,31,33)(H,34,35)/b11-6+