3-[3-(1-azanylethenylamino)propyl]-4-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]carbonyl-azetidine-2-carboxylic acid

Systemtic Name: 3-[3-(1-azanylethenylamino)propyl]-4-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]carbonyl-azetidine-2-carboxylic acid Openeye Name: 3-[3-(1-aminovinylamino)propyl]-1-(4-benzylpiperidine-1-carbonyl)-4-oxo-azetidine-2-carboxylic acid CAS Name: 3-[3-(1-aminoethenylamino)propyl]-4-oxo-1-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]-2-azetidinecarboxylic acid IUPAC Name: 3-[3-(1-aminoethenylamino)propyl]-1-(4-benzylpiperidine-1-carbonyl)-4-oxoazetidine-2-carboxylic acid Traditional Name: 3-[3-(1-aminovinylamino)propyl]-1-(4-benzylpiperidine-1-carbonyl)-4-keto-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)N2CCC(CC2)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C=C(N)NCCCC1C(N(C1=O)C(=O)N2CCC(CC2)CC3=CC=CC=C3)C(=O)O

InChI

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