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

Systemtic Name: 6-chloranyl-7-[2-(1,2-dimethylindol-3-yl)-2-oxidanylidene-ethoxy]-4-methyl-3-(phenylmethyl)chromen-2-one Openeye Name: 3-benzyl-6-chloro-7-[2-(1,2-dimethylindol-3-yl)-2-oxo-ethoxy]-4-methyl-chromen-2-one CAS Name: 6-chloro-7-[2-(1,2-dimethyl-3-indolyl)-2-oxoethoxy]-4-methyl-3-(phenylmethyl)-1-benzopyran-2-one IUPAC Name: 3-benzyl-6-chloro-7-[2-(1,2-dimethylindol-3-yl)-2-oxoethoxy]-4-methylchromen-2-one Traditional Name: 3-benzyl-6-chloro-7-[2-(1,2-dimethylindol-3-yl)-2-keto-ethoxy]-4-methyl-coumarin Formula: C29H24ClNO4 MolecularWeight: 485.95816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)C3=C(N(C4=CC=CC=C43)C)C)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)C3=C(N(C4=CC=CC=C43)C)C)CC5=CC=CC=C5

InChI

InChI=1S/C29H24ClNO4/c1-17-21-14-23(30)27(15-26(21)35-29(33)22(17)13-19-9-5-4-6-10-19)34-16-25(32)28-18(2)31(3)24-12-8-7-11-20(24)28/h4-12,14-15H,13,16H2,1-3H3