2-[[2-(cyclohexa-2,4-dien-1-ylmethoxycarbonylamino)-3-phenyl-propanoyl]amino]butanedioic acid

Systemtic Name: 2-[[2-(cyclohexa-2,4-dien-1-ylmethoxycarbonylamino)-3-phenyl-propanoyl]amino]butanedioic acid Openeye Name: 2-[[2-(cyclohexa-2,4-dien-1-ylmethoxycarbonylamino)-3-phenyl-propanoyl]amino]butanedioic acid CAS Name: 2-[[2-[[1-cyclohexa-2,4-dienylmethoxy(oxo)methyl]amino]-1-oxo-3-phenylpropyl]amino]butanedioic acid IUPAC Name: 2-[[2-(cyclohexa-2,4-dien-1-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]butanedioic acid Traditional Name: 2-[[2-(cyclohexa-2,4-dien-1-ylmethoxycarbonylamino)-3-phenyl-propanoyl]amino]succinic acid Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=CC1COC(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

C1C=CC=CC1COC(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC(=O)O)C(=O)O

InChI

InChI=1S/C21H24N2O7/c24-18(25)12-17(20(27)28)22-19(26)16(11-14-7-3-1-4-8-14)23-21(29)30-13-15-9-5-2-6-10-15/h1-9,15-17H,10-13H2,(H,22,26)(H,23,29)(H,24,25)(H,27,28)