2-[7-[(4-carbamimidoylphenyl)carbonyl-propan-2-yl-amino]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanoic acid

Systemtic Name: 2-[7-[(4-carbamimidoylphenyl)carbonyl-propan-2-yl-amino]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanoic acid Openeye Name: 2-[7-[(4-carbamimidoylbenzoyl)-isopropyl-amino]tetralin-2-yl]acetic acid CAS Name: 2-[7-[[(4-carbamimidoylphenyl)-oxomethyl]-propan-2-ylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid IUPAC Name: 2-[7-[(4-carbamimidoylbenzoyl)-propan-2-ylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid Traditional Name: 2-[7-[(4-amidinobenzoyl)-isopropyl-amino]tetralin-2-yl]acetic acid Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC2=C(CCC(C2)CC(=O)O)C=C1)C(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(C)N(C1=CC2=C(CCC(C2)CC(=O)O)C=C1)C(=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C23H27N3O3/c1-14(2)26(23(29)18-7-5-17(6-8-18)22(24)25)20-10-9-16-4-3-15(12-21(27)28)11-19(16)13-20/h5-10,13-15H,3-4,11-12H2,1-2H3,(H3,24,25)(H,27,28)