1-[2-[[3-(aminomethyl)phenyl]-butyl-amino]-2-oxidanylidene-ethyl]pyrrolidine-3-carboxylic acid

Systemtic Name: 1-[2-[[3-(aminomethyl)phenyl]-butyl-amino]-2-oxidanylidene-ethyl]pyrrolidine-3-carboxylic acid Openeye Name: 1-[2-[3-(aminomethyl)-N-butyl-anilino]-2-oxo-ethyl]pyrrolidine-3-carboxylic acid CAS Name: 1-[2-[3-(aminomethyl)-N-butylanilino]-2-oxoethyl]-3-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[3-(aminomethyl)-N-butylanilino]-2-oxoethyl]pyrrolidine-3-carboxylic acid Traditional Name: 1-[2-[3-(aminomethyl)-N-butyl-anilino]-2-keto-ethyl]pyrrolidine-3-carboxylic acid Formula: C18H27N3O3 MolecularWeight: 333.42528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=CC(=C1)CN)C(=O)CN2CCC(C2)C(=O)O

Isomeric SMILES

CCCCN(C1=CC=CC(=C1)CN)C(=O)CN2CCC(C2)C(=O)O

InChI

InChI=1S/C18H27N3O3/c1-2-3-8-21(16-6-4-5-14(10-16)11-19)17(22)13-20-9-7-15(12-20)18(23)24/h4-6,10,15H,2-3,7-9,11-13,19H2,1H3,(H,23,24)