(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-3-methyl-2-(2-naphthalen-1-ylethanoylamino)butanoate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-3-methyl-2-(2-naphthalen-1-ylethanoylamino)butanoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl (2S)-3-methyl-2-[[2-(1-naphthyl)acetyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[2-(1-naphthalenyl)-1-oxoethyl]amino]butanoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[[2-(1-naphthyl)acetyl]amino]butyric acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C28H26ClNO5 MolecularWeight: 491.96274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C(C(C)C)NC(=O)CC3=CC=CC4=CC=CC=C43)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)[C@H](C(C)C)NC(=O)CC3=CC=CC4=CC=CC=C43)Cl

InChI

InChI=1S/C28H26ClNO5/c1-16(2)27(30-25(31)12-19-9-6-8-18-7-4-5-10-21(18)19)28(33)34-15-20-13-26(32)35-24-11-17(3)23(29)14-22(20)24/h4-11,13-14,16,27H,12,15H2,1-3H3,(H,30,31)/t27-/m0/s1