2-[2-[4,8-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxypropanoylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[2-[4,8-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxypropanoylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid Openeye Name: 2-[2-(3-benzyl-4,8-dimethyl-2-oxo-chromen-7-yl)oxypropanoylamino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid CAS Name: 2-[[2-[[4,8-dimethyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl]oxy]-1-oxopropyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid IUPAC Name: 2-[2-(3-benzyl-4,8-dimethyl-2-oxochromen-7-yl)oxypropanoylamino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid Traditional Name: 2-[2-(3-benzyl-2-keto-4,8-dimethyl-chromen-7-yl)oxypropanoylamino]-3-(5-hydroxy-1H-indol-3-yl)propionic acid Formula: C32H30N2O7 MolecularWeight: 554.5898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O)CC5=CC=CC=C5

InChI

InChI=1S/C32H30N2O7/c1-17-23-10-12-28(18(2)29(23)41-32(39)24(17)13-20-7-5-4-6-8-20)40-19(3)30(36)34-27(31(37)38)14-21-16-33-26-11-9-22(35)15-25(21)26/h4-12,15-16,19,27,33,35H,13-14H2,1-3H3,(H,34,36)(H,37,38)