(E)-2-azanyl-3-methyl-4-oxidanylidene-6-(1-pentylindol-5-yl)-2-phenoxy-hept-5-enoic acid

Systemtic Name: (E)-2-azanyl-3-methyl-4-oxidanylidene-6-(1-pentylindol-5-yl)-2-phenoxy-hept-5-enoic acid Openeye Name: (E)-2-amino-3-methyl-4-oxo-6-(1-pentylindol-5-yl)-2-phenoxy-hept-5-enoic acid CAS Name: (E)-2-amino-3-methyl-4-oxo-6-(1-pentyl-5-indolyl)-2-phenoxy-5-heptenoic acid IUPAC Name: (E)-2-amino-3-methyl-4-oxo-6-(1-pentylindol-5-yl)-2-phenoxyhept-5-enoic acid Traditional Name: (E)-2-amino-6-(1-amylindol-5-yl)-4-keto-3-methyl-2-phenoxy-hept-5-enoic acid Formula: C27H32N2O4 MolecularWeight: 448.55398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=CC2=C1C=CC(=C2)C(=CC(=O)C(C)C(C(=O)O)(N)OC3=CC=CC=C3)C

Isomeric SMILES

CCCCCN1C=CC2=C1C=CC(=C2)/C(=C/C(=O)C(C)C(C(=O)O)(N)OC3=CC=CC=C3)/C

InChI

InChI=1S/C27H32N2O4/c1-4-5-9-15-29-16-14-22-18-21(12-13-24(22)29)19(2)17-25(30)20(3)27(28,26(31)32)33-23-10-7-6-8-11-23/h6-8,10-14,16-18,20H,4-5,9,15,28H2,1-3H3,(H,31,32)/b19-17+