(E)-2-azanyl-3-methyl-4-oxidanylidene-2-phenoxy-6-[1-(phenylmethyl)indol-5-yl]hept-5-enoic acid

Systemtic Name: (E)-2-azanyl-3-methyl-4-oxidanylidene-2-phenoxy-6-[1-(phenylmethyl)indol-5-yl]hept-5-enoic acid Openeye Name: (E)-2-amino-6-(1-benzylindol-5-yl)-3-methyl-4-oxo-2-phenoxy-hept-5-enoic acid CAS Name: (E)-2-amino-3-methyl-4-oxo-2-phenoxy-6-[1-(phenylmethyl)-5-indolyl]-5-heptenoic acid IUPAC Name: (E)-2-amino-6-(1-benzylindol-5-yl)-3-methyl-4-oxo-2-phenoxyhept-5-enoic acid Traditional Name: (E)-2-amino-6-(1-benzylindol-5-yl)-4-keto-3-methyl-2-phenoxy-hept-5-enoic acid Formula: C29H28N2O4 MolecularWeight: 468.54362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C=C(C)C1=CC2=C(C=C1)N(C=C2)CC3=CC=CC=C3)C(C(=O)O)(N)OC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)/C=C(\C)/C1=CC2=C(C=C1)N(C=C2)CC3=CC=CC=C3)C(C(=O)O)(N)OC4=CC=CC=C4

InChI

InChI=1S/C29H28N2O4/c1-20(17-27(32)21(2)29(30,28(33)34)35-25-11-7-4-8-12-25)23-13-14-26-24(18-23)15-16-31(26)19-22-9-5-3-6-10-22/h3-18,21H,19,30H2,1-2H3,(H,33,34)/b20-17+