7-[2-(1,2-dimethylindol-3-yl)-2-oxidanylidene-ethoxy]-4-methyl-3-(phenylmethyl)chromen-2-one

Systemtic Name: 7-[2-(1,2-dimethylindol-3-yl)-2-oxidanylidene-ethoxy]-4-methyl-3-(phenylmethyl)chromen-2-one Openeye Name: 3-benzyl-7-[2-(1,2-dimethylindol-3-yl)-2-oxo-ethoxy]-4-methyl-chromen-2-one CAS Name: 7-[2-(1,2-dimethyl-3-indolyl)-2-oxoethoxy]-4-methyl-3-(phenylmethyl)-1-benzopyran-2-one IUPAC Name: 3-benzyl-7-[2-(1,2-dimethylindol-3-yl)-2-oxoethoxy]-4-methylchromen-2-one Traditional Name: 3-benzyl-7-[2-(1,2-dimethylindol-3-yl)-2-keto-ethoxy]-4-methyl-coumarin Formula: C29H25NO4 MolecularWeight: 451.5131

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)C3=C(N(C4=CC=CC=C43)C)C)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)C3=C(N(C4=CC=CC=C43)C)C)CC5=CC=CC=C5

InChI

InChI=1S/C29H25NO4/c1-18-22-14-13-21(16-27(22)34-29(32)24(18)15-20-9-5-4-6-10-20)33-17-26(31)28-19(2)30(3)25-12-8-7-11-23(25)28/h4-14,16H,15,17H2,1-3H3