3-[3-(1-azanylethenylamino)propyl]-4-oxidanylidene-1-[(4-phenylcyclohexyl)carbamoyl]azetidine-2-carboxylic acid

Systemtic Name: 3-[3-(1-azanylethenylamino)propyl]-4-oxidanylidene-1-[(4-phenylcyclohexyl)carbamoyl]azetidine-2-carboxylic acid Openeye Name: 3-[3-(1-aminovinylamino)propyl]-4-oxo-1-[(4-phenylcyclohexyl)carbamoyl]azetidine-2-carboxylic acid CAS Name: 3-[3-(1-aminoethenylamino)propyl]-4-oxo-1-[oxo-[(4-phenylcyclohexyl)amino]methyl]-2-azetidinecarboxylic acid IUPAC Name: 3-[3-(1-aminoethenylamino)propyl]-4-oxo-1-[(4-phenylcyclohexyl)carbamoyl]azetidine-2-carboxylic acid Traditional Name: 3-[3-(1-aminovinylamino)propyl]-4-keto-1-[(4-phenylcyclohexyl)carbamoyl]azetidine-2-carboxylic acid Formula: C22H30N4O4 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

C=C(N)NCCCC1C(N(C1=O)C(=O)NC2CCC(CC2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C=C(N)NCCCC1C(N(C1=O)C(=O)NC2CCC(CC2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H30N4O4/c1-14(23)24-13-5-8-18-19(21(28)29)26(20(18)27)22(30)25-17-11-9-16(10-12-17)15-6-3-2-4-7-15/h2-4,6-7,16-19,24H,1,5,8-13,23H2,(H,25,30)(H,28,29)