(Z)-6-[3-[3-(1-methylindol-3-yl)propanoylamino]phenyl]-6-pyridin-3-yl-hex-5-enoic acid

Systemtic Name: (Z)-6-[3-[3-(1-methylindol-3-yl)propanoylamino]phenyl]-6-pyridin-3-yl-hex-5-enoic acid Openeye Name: (Z)-6-[3-[3-(1-methylindol-3-yl)propanoylamino]phenyl]-6-(3-pyridyl)hex-5-enoic acid CAS Name: (Z)-6-[3-[[3-(1-methyl-3-indolyl)-1-oxopropyl]amino]phenyl]-6-(3-pyridinyl)-5-hexenoic acid IUPAC Name: (Z)-6-[3-[3-(1-methylindol-3-yl)propanoylamino]phenyl]-6-pyridin-3-ylhex-5-enoic acid Traditional Name: (Z)-6-[3-[3-(1-methylindol-3-yl)propanoylamino]phenyl]-6-(3-pyridyl)hex-5-enoic acid Formula: C29H29N3O3 MolecularWeight: 467.55886

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)CCC(=O)NC3=CC=CC(=C3)C(=CCCCC(=O)O)C4=CN=CC=C4

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)CCC(=O)NC3=CC=CC(=C3)/C(=C/CCCC(=O)O)/C4=CN=CC=C4

InChI

InChI=1S/C29H29N3O3/c1-32-20-23(26-12-2-4-13-27(26)32)15-16-28(33)31-24-10-6-8-21(18-24)25(11-3-5-14-29(34)35)22-9-7-17-30-19-22/h2,4,6-13,17-20H,3,5,14-16H2,1H3,(H,31,33)(H,34,35)/b25-11-