methyl (2R,3S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-methyl-pentanoate

Systemtic Name: methyl (2R,3S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-methyl-pentanoate Openeye Name: methyl (2R,3S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-methyl-pentanoate CAS Name: (2R,3S)-2-[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2R,3S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-methylpentanoate Traditional Name: (2R,3S)-2-[[(E)-3-(4-methoxyphenyl)acryloyl]amino]-3-methyl-valeric acid methyl ester Formula: C17H23NO4 MolecularWeight: 305.36882

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)C=CC1=CC=C(C=C1)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO4/c1-5-12(2)16(17(20)22-4)18-15(19)11-8-13-6-9-14(21-3)10-7-13/h6-12,16H,5H2,1-4H3,(H,18,19)/b11-8+/t12-,16+/m0/s1