6-methylheptyl prop-2-enoate; (2S)-2-(prop-2-enoylamino)butanedioic acid

Systemtic Name: 6-methylheptyl prop-2-enoate; (2S)-2-(prop-2-enoylamino)butanedioic acid Openeye Name: 6-methylheptyl prop-2-enoate; (2S)-2-(prop-2-enoylamino)butanedioic acid CAS Name: (2S)-2-(1-oxoprop-2-enylamino)butanedioic acid; 2-propenoic acid 6-methylheptyl ester IUPAC Name: 6-methylheptyl prop-2-enoate; (2S)-2-(prop-2-enoylamino)butanedioic acid Traditional Name: (2S)-2-acrylamidosuccinic acid; acrylic acid 6-methylheptyl ester Formula: C18H29NO7 MolecularWeight: 371.42536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCOC(=O)C=C.C=CC(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)CCCCCOC(=O)C=C.C=CC(=O)N[C@@H](CC(=O)O)C(=O)O

InChI

InChI=1S/C11H20O2.C7H9NO5/c1-4-11(12)13-9-7-5-6-8-10(2)3;1-2-5(9)8-4(7(12)13)3-6(10)11/h4,10H,1,5-9H2,2-3H3;2,4H,1,3H2,(H,8,9)(H,10,11)(H,12,13)/t;4-/m.0/s1