methyl (2S)-2-[[(4R,7Z)-3,3-dimethyldeca-1,7-dien-4-yl]amino]-2-phenyl-ethanoate

Systemtic Name: methyl (2S)-2-[[(4R,7Z)-3,3-dimethyldeca-1,7-dien-4-yl]amino]-2-phenyl-ethanoate Openeye Name: methyl (2S)-2-[[(Z,1R)-1-(1,1-dimethylallyl)hept-4-enyl]amino]-2-phenyl-acetate CAS Name: (2S)-2-[[(4R,7Z)-3,3-dimethyldeca-1,7-dien-4-yl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl (2S)-2-[[(4R,7Z)-3,3-dimethyldeca-1,7-dien-4-yl]amino]-2-phenylacetate Traditional Name: (2S)-2-[[(Z,1R)-1-(1,1-dimethylallyl)hept-4-enyl]amino]-2-phenyl-acetic acid methyl ester Formula: C21H31NO2 MolecularWeight: 329.47634

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCCC(C(C)(C)C=C)NC(C1=CC=CC=C1)C(=O)OC

Isomeric SMILES

CC/C=C\CC[C@H](C(C)(C)C=C)N[C@@H](C1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C21H31NO2/c1-6-8-9-13-16-18(21(3,4)7-2)22-19(20(23)24-5)17-14-11-10-12-15-17/h7-12,14-15,18-19,22H,2,6,13,16H2,1,3-5H3/b9-8-/t18-,19+/m1/s1